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N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide
TL;DR: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide (CAS 428451-33-6) is a chemical compound with molecular formula C19H13N3O4S2 and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide
Also Known As: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide, N-(4-(benzo[d]thiazol-2-yl)phenyl)-4-nitrobenzenesulfonamide
| Molecular Formula | C19H13N3O4S2 |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 4.6723 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.03476 |
| Heavy Atoms | 28 |
| Complexity | 1231.7949 |
Chemical Identifiers
| CAS Number | 428451-33-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide (CAS 428451-33-6), with molecular formula C19H13N3O4S2 and molecular weight 411.03 g/mol. IUPAC: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide
Property Insights of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide
The XLogP value of 4.6723 indicates that N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide?
The CAS number of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide is 428451-33-6.
What is the molecular formula of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide?
The molecular formula of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide is C19H13N3O4S2.
What is the molecular weight of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide?
The molecular weight of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide is 411.03 g/mol.
Where can I buy N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide?
You can request a quote for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.