2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide

C12H11N5O2S — CID 63564707

IUPAC2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
SMILESNc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)ccn1
InChIInChI=1S/C12H11N5O2S/c13-11-7-8(5-6-14-11)20(18,19)17-12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)(H2,15,16,17)
InChIKeyBUQKEYSSBTUMJD-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide

2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide (PubChem CID 63564707) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
PubChem CID63564707
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
SMILESNc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)ccn1
InChIInChI=1S/C12H11N5O2S/c13-11-7-8(5-6-14-11)20(18,19)17-12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)(H2,15,16,17)
InChIKeyBUQKEYSSBTUMJD-UHFFFAOYSA-N
XLogP1.34
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
CID 63564636
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide (CID 63564707) is 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide is Nc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)ccn1.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide?
The InChIKey is BUQKEYSSBTUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-11-7-8(5-6-14-11)20(18,19)17-12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)(H2,15,16,17).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide?
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 63564707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).