2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide

C13H10ClN3O2S2 — CID 43415015

IUPAC2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cccnc3Cl)sc2c1
InChIInChI=1S/C13H10ClN3O2S2/c1-8-4-5-9-10(7-8)20-13(16-9)17-21(18,19)11-3-2-6-15-12(11)14/h2-7H,1H3,(H,16,17)
InChIKeyNZIDLGCSWSILMG-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide

2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 43415015) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
PubChem CID43415015
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cccnc3Cl)sc2c1
InChIInChI=1S/C13H10ClN3O2S2/c1-8-4-5-9-10(7-8)20-13(16-9)17-21(18,19)11-3-2-6-15-12(11)14/h2-7H,1H3,(H,16,17)
InChIKeyNZIDLGCSWSILMG-UHFFFAOYSA-N
XLogP3.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 63000149
4-methyl-3-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 71362240
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42285151
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3256041
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
2-carboxy-4-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]phenolate
CID 54694024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide (CID 43415015) is 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide is Cc1ccc2nc(NS(=O)(=O)c3cccnc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is NZIDLGCSWSILMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c1-8-4-5-9-10(7-8)20-13(16-9)17-21(18,19)11-3-2-6-15-12(11)14/h2-7H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 339.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 43415015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).