4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide

C15H13BrN4O4S2 — CID 2870302

IUPAC4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
SMILESBr.NS(=O)(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C15H12N4O4S2.BrH/c16-25(22,23)13-6-4-11(5-7-13)17-15-18-14(9-24-15)10-2-1-3-12(8-10)19(20)21;/h1-9H,(H,17,18)(H2,16,22,23);1H
InChIKeyKANWDDGUDXSALO-UHFFFAOYSA-N
MW457.33 g/mol
LogP3.69
Rot. Bonds5

About 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide

4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide (PubChem CID 2870302) has the molecular formula C15H13BrN4O4S2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
PubChem CID2870302
Molecular FormulaC15H13BrN4O4S2
Molecular Weight457.33 g/mol
Exact Mass455.96
IUPAC Name4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
SMILESBr.NS(=O)(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C15H12N4O4S2.BrH/c16-25(22,23)13-6-4-11(5-7-13)17-15-18-14(9-24-15)10-2-1-3-12(8-10)19(20)21;/h1-9H,(H,17,18)(H2,16,22,23);1H
InChIKeyKANWDDGUDXSALO-UHFFFAOYSA-N
XLogP3.69
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-aryl-4-aryl-1,3-thiazole-2-amine, 28
CID 25101047
4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
CID 44298787
4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 1104657
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 892402
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 973022
4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide;hydrobromide
CID 2837334
4-Methyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 4233969
N-[4-(3-Nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10393215
4-Amino-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10407177
4-Isopropyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10763694
4-Chloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10834541
4-[(4-Methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 2426551

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
The IUPAC name of 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide (CID 2870302) is 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide.
What is the SMILES notation for 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
The canonical SMILES for 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide is Br.NS(=O)(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1.
What is the InChIKey of 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
The InChIKey is KANWDDGUDXSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2.BrH/c16-25(22,23)13-6-4-11(5-7-13)17-15-18-14(9-24-15)10-2-1-3-12(8-10)19(20)21;/h1-9H,(H,17,18)(H2,16,22,23);1H.
What are the key properties of 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?
4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide has a molecular weight of 457.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide is sourced from PubChem (CID 2870302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).