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

C15H14FN3O3S — CID 1249871

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H14FN3O3S/c1-18-13-8-5-11(9-14(13)19(2)15(18)20)17-23(21,22)12-6-3-10(16)4-7-12/h3-9,17H,1-2H3
InChIKeyQPMHHINESWEYPY-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.82
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 1249871) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID1249871
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H14FN3O3S/c1-18-13-8-5-11(9-14(13)19(2)15(18)20)17-23(21,22)12-6-3-10(16)4-7-12/h3-9,17H,1-2H3
InChIKeyQPMHHINESWEYPY-UHFFFAOYSA-N
XLogP1.82
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.82
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
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]phenyl]acetamide
CID 2103499
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 2972934
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
CID 3918464
4-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 4885249
N-[6-(Benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzene-1-sulfonamide
CID 15990286

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide (CID 1249871) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is QPMHHINESWEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-18-13-8-5-11(9-14(13)19(2)15(18)20)17-23(21,22)12-6-3-10(16)4-7-12/h3-9,17H,1-2H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.82, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 1249871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).