N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide

C15H13F2NO3S — CID 27054975

IUPACN-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO3S/c1-22(20,21)9-10-2-4-11(5-3-10)15(19)18-14-7-12(16)6-13(17)8-14/h2-8H,9H2,1H3,(H,18,19)
InChIKeyIGMWMTZJPQHYOE-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.76
Rot. Bonds4

About N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide

N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 27054975) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID27054975
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC NameN-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO3S/c1-22(20,21)9-10-2-4-11(5-3-10)15(19)18-14-7-12(16)6-13(17)8-14/h2-8H,9H2,1H3,(H,18,19)
InChIKeyIGMWMTZJPQHYOE-UHFFFAOYSA-N
XLogP2.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 17483539
4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
CID 17271977
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide (CID 27054975) is N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is IGMWMTZJPQHYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c1-22(20,21)9-10-2-4-11(5-3-10)15(19)18-14-7-12(16)6-13(17)8-14/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide?
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27054975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).