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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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).