N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide

C16H17N3O4S — CID 1250430

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3
InChIKeyCXVPOMVKVCGHLI-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.69
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 1250430) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID1250430
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3
InChIKeyCXVPOMVKVCGHLI-UHFFFAOYSA-N
XLogP1.69
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 6494053
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
2,5-dimethoxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 15990073
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 16031722
N-(4-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-N-methylacetamide
CID 742884
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (4-methoxy-phenyl)-amide
CID 1093431
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (2-methoxy-phenyl)-amide
CID 1093433
N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242553
5-Chloro-2-methoxy-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 3163501

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide (CID 1250430) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CXVPOMVKVCGHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1250430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).