6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide

C12H10N4O2S2 — CID 107801222

IUPAC6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1
InChIInChI=1S/C12H10N4O2S2/c13-12-4-2-9(6-14-12)20(17,18)16-8-1-3-10-11(5-8)19-7-15-10/h1-7,16H,(H2,13,14)
InChIKeyJQYGCVAOASIZIE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.07
Rot. Bonds3

About 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide

6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide (PubChem CID 107801222) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
PubChem CID107801222
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1
InChIInChI=1S/C12H10N4O2S2/c13-12-4-2-9(6-14-12)20(17,18)16-8-1-3-10-11(5-8)19-7-15-10/h1-7,16H,(H2,13,14)
InChIKeyJQYGCVAOASIZIE-UHFFFAOYSA-N
XLogP2.07
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide 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-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
N-(1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4990247
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209
6-amino-N-(4-chloro-3-fluorophenyl)pyridine-3-sulfonamide
CID 62151485
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898
6-amino-N-(4-propoxyphenyl)pyridine-3-sulfonamide
CID 62328717

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide (CID 107801222) is 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1.
What is the InChIKey of 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide?
The InChIKey is JQYGCVAOASIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-12-4-2-9(6-14-12)20(17,18)16-8-1-3-10-11(5-8)19-7-15-10/h1-7,16H,(H2,13,14).
What are the key properties of 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide?
6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide has a molecular weight of 306.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 107801222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).