1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide

C15H16N4O3S — CID 35141950

IUPAC1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C15H16N4O3S/c1-10-6-7-16-14(8-10)17-23(21,22)11-4-5-12-13(9-11)19(3)15(20)18(12)2/h4-9H,1-3H3,(H,16,17)
InChIKeyBJAXPLJSURAUSI-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.38
Rot. Bonds3

About 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide

1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 35141950) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID35141950
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C15H16N4O3S/c1-10-6-7-16-14(8-10)17-23(21,22)11-4-5-12-13(9-11)19(3)15(20)18(12)2/h4-9H,1-3H3,(H,16,17)
InChIKeyBJAXPLJSURAUSI-UHFFFAOYSA-N
XLogP1.38
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 71671396
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-(4-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119948
4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 79185274
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 119055169
4-[(4-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 30053774
N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 82017342
(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
N-(4-methyl-2-pyridinyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081116

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide (CID 35141950) is 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is BJAXPLJSURAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-10-6-7-16-14(8-10)17-23(21,22)11-4-5-12-13(9-11)19(3)15(20)18(12)2/h4-9H,1-3H3,(H,16,17).
What are the key properties of 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide?
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 35141950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).