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

C15H15N3O3S — CID 7113285

IUPACN-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H15N3O3S/c1-9-3-4-10(2)13(7-9)18-22(20,21)11-5-6-12-14(8-11)17-15(19)16-12/h3-8,18H,1-2H3,(H2,16,17,19)
InChIKeyYPPCUQFIQKVXFB-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.27
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7113285) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7113285
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H15N3O3S/c1-9-3-4-10(2)13(7-9)18-22(20,21)11-5-6-12-14(8-11)17-15(19)16-12/h3-8,18H,1-2H3,(H2,16,17,19)
InChIKeyYPPCUQFIQKVXFB-UHFFFAOYSA-N
XLogP2.27
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
N-(2,5-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931304
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 719684
N-benzyl-N,1,3-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 701131
5-(2,3-Dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone
CID 1253526
N-(4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}phenyl)acetamide
CID 2956331

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7113285) is N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is YPPCUQFIQKVXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-3-4-10(2)13(7-9)18-22(20,21)11-5-6-12-14(8-11)17-15(19)16-12/h3-8,18H,1-2H3,(H2,16,17,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7113285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).