3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C16H17N3O3S — CID 20961997

IUPAC3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc1C
InChIInChI=1S/C16H17N3O3S/c1-9-4-5-12(6-10(9)2)23(21,22)19-13-8-15-14(7-11(13)3)17-16(20)18-15/h4-8,19H,1-3H3,(H2,17,18,20)
InChIKeyPWAGEIFFCNLJLZ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.58
Rot. Bonds3

About 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 20961997) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID20961997
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc1C
InChIInChI=1S/C16H17N3O3S/c1-9-4-5-12(6-10(9)2)23(21,22)19-13-8-15-14(7-11(13)3)17-16(20)18-15/h4-8,19H,1-3H3,(H2,17,18,20)
InChIKeyPWAGEIFFCNLJLZ-UHFFFAOYSA-N
XLogP2.58
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586552
N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 119045851
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(4-chloro-2-methylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 52556593

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 20961997) is 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is PWAGEIFFCNLJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-4-5-12(6-10(9)2)23(21,22)19-13-8-15-14(7-11(13)3)17-16(20)18-15/h4-8,19H,1-3H3,(H2,17,18,20).
What are the key properties of 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20961997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).