3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one

C14H10F2N2O3S — CID 44578741

IUPAC3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(S(=O)(=O)c3c(F)cccc3F)c2c1
InChIInChI=1S/C14H10F2N2O3S/c1-8-5-6-11-12(7-8)18(14(19)17-11)22(20,21)13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,19)
InChIKeyCSPXOYROBWBURM-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.15
Rot. Bonds2

About 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one

3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one (PubChem CID 44578741) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
PubChem CID44578741
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC Name3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(S(=O)(=O)c3c(F)cccc3F)c2c1
InChIInChI=1S/C14H10F2N2O3S/c1-8-5-6-11-12(7-8)18(14(19)17-11)22(20,21)13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,19)
InChIKeyCSPXOYROBWBURM-UHFFFAOYSA-N
XLogP2.15
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
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
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836445
1-[2-Fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836446
[(3,4-difluorophenyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 3140522
N-{[(2-fluoro-5-methylphenyl)amino]carbonyl}-4-methylbenzenesulfonamide
CID 753426
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
CID 3918464
3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
CID 44578792
3-(3,5-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
CID 44578794

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one (CID 44578741) is 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(S(=O)(=O)c3c(F)cccc3F)c2c1.
What is the InChIKey of 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
The InChIKey is CSPXOYROBWBURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c1-8-5-6-11-12(7-8)18(14(19)17-11)22(20,21)13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,19).
What are the key properties of 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one has a molecular weight of 324.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 44578741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).