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

C16H16FN3O3S — CID 3918464

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C16H16FN3O3S/c1-10-8-12(5-6-13(10)17)24(22,23)18-11-4-7-14-15(9-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3
InChIKeyJUBCMJWXGXWPHB-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.13
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 3918464) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID3918464
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C16H16FN3O3S/c1-10-8-12(5-6-13(10)17)24(22,23)18-11-4-7-14-15(9-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3
InChIKeyJUBCMJWXGXWPHB-UHFFFAOYSA-N
XLogP2.13
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
2,4,6-trimethyl-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3480396
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
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
N-benzyl-N,1,3-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 701131
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzenesulfonamide
CID 1249871
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide
CID 2972356

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 3918464) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is JUBCMJWXGXWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-10-8-12(5-6-13(10)17)24(22,23)18-11-4-7-14-15(9-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 3918464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).