N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H13N3O3S — CID 752841

IUPACN-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H13N3O3S/c1-9-3-2-4-10(7-9)17-21(19,20)11-5-6-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyPMHKIBXARSSWNN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.97
Rot. Bonds3

About N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 752841) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID752841
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H13N3O3S/c1-9-3-2-4-10(7-9)17-21(19,20)11-5-6-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyPMHKIBXARSSWNN-UHFFFAOYSA-N
XLogP1.97
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25374262
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 2396440
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8841856
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2554557
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 752841) is N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is PMHKIBXARSSWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-3-2-4-10(7-9)17-21(19,20)11-5-6-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 752841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).