2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide

C14H14N4O2S — CID 110760126

IUPAC2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C14H14N4O2S/c1-10-17-13-3-2-12(8-14(13)18-10)21(19,20)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyIADYKIBXAWAGAJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide

2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 110760126) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
PubChem CID110760126
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C14H14N4O2S/c1-10-17-13-3-2-12(8-14(13)18-10)21(19,20)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyIADYKIBXAWAGAJ-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785688
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
CID 116852802
3-fluoro-4-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 82846618
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide (CID 110760126) is 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is IADYKIBXAWAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-17-13-3-2-12(8-14(13)18-10)21(19,20)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide?
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).