N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide

C13H12N4O2S — CID 3087601

IUPACN-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2S/c18-20(19,15-9-10-5-3-4-8-14-10)13-16-11-6-1-2-7-12(11)17-13/h1-8,15H,9H2,(H,16,17)
InChIKeyXMJLTRUWMNFUOL-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.44
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide

N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide (PubChem CID 3087601) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide
PubChem CID3087601
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2S/c18-20(19,15-9-10-5-3-4-8-14-10)13-16-11-6-1-2-7-12(11)17-13/h1-8,15H,9H2,(H,16,17)
InChIKeyXMJLTRUWMNFUOL-UHFFFAOYSA-N
XLogP1.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfonylamino)-N-methylacetamide
CID 91621220
N-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-1H-benzimidazole-2-sulfonamide
CID 67380172
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 102241640
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 29267504
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61073396
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
ethyl 3,5-dimethyl-4-(pyridin-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53005255

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide (CID 3087601) is N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide is O=S(=O)(NCc1ccccn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide?
The InChIKey is XMJLTRUWMNFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-20(19,15-9-10-5-3-4-8-14-10)13-16-11-6-1-2-7-12(11)17-13/h1-8,15H,9H2,(H,16,17).
What are the key properties of N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide?
N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide is sourced from PubChem (CID 3087601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).