N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C15H14FN3O3S — CID 701109

IUPACN-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C15H14FN3O3S/c1-18-13-8-7-12(9-14(13)19(2)15(18)20)23(21,22)17-11-5-3-10(16)4-6-11/h3-9,17H,1-2H3
InChIKeyDXWQDTFELIVUDM-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.82
Rot. Bonds3

About N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 701109) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID701109
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C15H14FN3O3S/c1-18-13-8-7-12(9-14(13)19(2)15(18)20)23(21,22)17-11-5-3-10(16)4-6-11/h3-9,17H,1-2H3
InChIKeyDXWQDTFELIVUDM-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

Mls003106479
CID 3370705
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
4-[3-(2,4-Difluorophenyl)-2-oxoimidazolidin-1-yl]benzenesulfonamide
CID 124174639
N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
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
(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-acetic acid
CID 3158007
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 701109) is N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is DXWQDTFELIVUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-18-13-8-7-12(9-14(13)19(2)15(18)20)23(21,22)17-11-5-3-10(16)4-6-11/h3-9,17H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide 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-(4-fluorophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 701109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).