N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C16H17N3O3S — CID 110779641

IUPACN-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C
InChIInChI=1S/C16H17N3O3S/c1-10-3-4-12(7-11(10)2)9-17-23(21,22)13-5-6-14-15(8-13)19-16(20)18-14/h3-8,17H,9H2,1-2H3,(H2,18,19,20)
InChIKeyKDCSKCJQCORQBV-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.95
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110779641) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110779641
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C
InChIInChI=1S/C16H17N3O3S/c1-10-3-4-12(7-11(10)2)9-17-23(21,22)13-5-6-14-15(8-13)19-16(20)18-14/h3-8,17H,9H2,1-2H3,(H2,18,19,20)
InChIKeyKDCSKCJQCORQBV-UHFFFAOYSA-N
XLogP1.95
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110672585
2-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110405118
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739187
2-oxo-N-(1H-pyrrol-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110873987
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785308
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110779641) is N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KDCSKCJQCORQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-3-4-12(7-11(10)2)9-17-23(21,22)13-5-6-14-15(8-13)19-16(20)18-14/h3-8,17H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110779641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).