N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H12FN3O3S — CID 7602568

IUPACN-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F
InChIInChI=1S/C14H12FN3O3S/c1-8-2-3-9(6-11(8)15)18-22(20,21)10-4-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyVUBOHUACNOVBDP-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.10
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7602568) has the molecular formula C14H12FN3O3S and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7602568
Molecular FormulaC14H12FN3O3S
Molecular Weight321.33 g/mol
Exact Mass321.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F
InChIInChI=1S/C14H12FN3O3S/c1-8-2-3-9(6-11(8)15)18-22(20,21)10-4-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyVUBOHUACNOVBDP-UHFFFAOYSA-N
XLogP2.10
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
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
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
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
4-(3-(4-Butylphenyl)ureido)benzenesulfonamide
CID 41430216
N-(4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372745
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 719684
N-benzyl-N,1,3-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 701131
N-(4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}phenyl)acetamide
CID 2956331

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7602568) is N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is VUBOHUACNOVBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S/c1-8-2-3-9(6-11(8)15)18-22(20,21)10-4-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 321.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7602568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).