3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide

C14H11F2NO3S — CID 172648780

IUPAC3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(-c2c(F)cc(C(N)=O)cc2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-21(19,20)10-4-2-3-8(5-10)13-11(15)6-9(14(17)18)7-12(13)16/h2-7H,1H3,(H2,17,18)
InChIKeyWLXINTPINFCYIA-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.13
Rot. Bonds3

About 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide

3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide (PubChem CID 172648780) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
PubChem CID172648780
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC Name3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(-c2c(F)cc(C(N)=O)cc2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-21(19,20)10-4-2-3-8(5-10)13-11(15)6-9(14(17)18)7-12(13)16/h2-7H,1H3,(H2,17,18)
InChIKeyWLXINTPINFCYIA-UHFFFAOYSA-N
XLogP2.13
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(3-methylsulfonylphenyl)benzoic acid
CID 53228086
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
2-fluoro-4-methyl-5-(3-methylsulfonylphenyl)benzoic acid
CID 171905829
4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
CID 68946402
4-fluoro-5-methyl-2-(3-methylsulfonylphenyl)benzoic acid
CID 172914117
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
8-fluoro-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-3-carboxamide
CID 46225246
2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide
CID 68879223
1,5,6-trimethyl-4-(3-methylsulfonylphenyl)benzimidazole-2-carboxamide
CID 175605457
(3-methylsulfonylbenzoyl)azanium
CID 163693398
4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide (CID 172648780) is 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1cccc(-c2c(F)cc(C(N)=O)cc2F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide?
The InChIKey is WLXINTPINFCYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-21(19,20)10-4-2-3-8(5-10)13-11(15)6-9(14(17)18)7-12(13)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide?
3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide has a molecular weight of 311.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 172648780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).