N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide

C13H10ClN3O2S2 — CID 28970981

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
SMILESNc1ccc2nc(NS(=O)(=O)c3ccccc3Cl)sc2c1
InChIInChI=1S/C13H10ClN3O2S2/c14-9-3-1-2-4-12(9)21(18,19)17-13-16-10-6-5-8(15)7-11(10)20-13/h1-7H,15H2,(H,16,17)
InChIKeyQWYPAFCESYWVAI-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.33
Rot. Bonds3

About N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide (PubChem CID 28970981) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
PubChem CID28970981
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
SMILESNc1ccc2nc(NS(=O)(=O)c3ccccc3Cl)sc2c1
InChIInChI=1S/C13H10ClN3O2S2/c14-9-3-1-2-4-12(9)21(18,19)17-13-16-10-6-5-8(15)7-11(10)20-13/h1-7H,15H2,(H,16,17)
InChIKeyQWYPAFCESYWVAI-UHFFFAOYSA-N
XLogP3.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide 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-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103298546
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015
2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839912
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731
2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114804253
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 173095043
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
CID 3395522

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide (CID 28970981) is N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide is Nc1ccc2nc(NS(=O)(=O)c3ccccc3Cl)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide?
The InChIKey is QWYPAFCESYWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c14-9-3-1-2-4-12(9)21(18,19)17-13-16-10-6-5-8(15)7-11(10)20-13/h1-7H,15H2,(H,16,17).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide has a molecular weight of 339.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 28970981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).