1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one

C20H14F2N2O5S2 — CID 18559050

IUPAC1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
SMILESCc1ccc2c(c1)n(S(=O)(=O)c1ccc(F)cc1)c(=O)n2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O5S2/c1-13-2-11-18-19(12-13)24(31(28,29)17-9-5-15(22)6-10-17)20(25)23(18)30(26,27)16-7-3-14(21)4-8-16/h2-12H,1H3
InChIKeyGFUBPVWXWZDMOT-UHFFFAOYSA-N
MW464.47 g/mol
LogP2.86
Rot. Bonds4

About 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one

1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one (PubChem CID 18559050) has the molecular formula C20H14F2N2O5S2 and a molecular weight of 464.47 g/mol. Its IUPAC name is 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
PubChem CID18559050
Molecular FormulaC20H14F2N2O5S2
Molecular Weight464.47 g/mol
Exact Mass464.03
IUPAC Name1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
SMILESCc1ccc2c(c1)n(S(=O)(=O)c1ccc(F)cc1)c(=O)n2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O5S2/c1-13-2-11-18-19(12-13)24(31(28,29)17-9-5-15(22)6-10-17)20(25)23(18)30(26,27)16-7-3-14(21)4-8-16/h2-12H,1H3
InChIKeyGFUBPVWXWZDMOT-UHFFFAOYSA-N
XLogP2.86
TPSA95.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one 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

2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132506395
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
7-fluoro-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 146270808
5-amino-3-(4-methylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724096
5-fluoro-1-(4-methylphenyl)sulfonylindazole
CID 132915435
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
3-butan-2-yl-2-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 132594480
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one?
The IUPAC name of 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one (CID 18559050) is 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one.
What is the SMILES notation for 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one?
The canonical SMILES for 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one is Cc1ccc2c(c1)n(S(=O)(=O)c1ccc(F)cc1)c(=O)n2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one?
The InChIKey is GFUBPVWXWZDMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O5S2/c1-13-2-11-18-19(12-13)24(31(28,29)17-9-5-15(22)6-10-17)20(25)23(18)30(26,27)16-7-3-14(21)4-8-16/h2-12H,1H3.
What are the key properties of 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one?
1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one has a molecular weight of 464.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one is sourced from PubChem (CID 18559050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).