N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide

C15H13F2NO3S — CID 9165720

IUPACN-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO3S/c1-9-3-5-11(22(2,20)21)8-12(9)15(19)18-10-4-6-13(16)14(17)7-10/h3-8H,1-2H3,(H,18,19)
InChIKeyNIJXLFXYDUZWGU-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.93
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide

N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 9165720) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID9165720
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO3S/c1-9-3-5-11(22(2,20)21)8-12(9)15(19)18-10-4-6-13(16)14(17)7-10/h3-8H,1-2H3,(H,18,19)
InChIKeyNIJXLFXYDUZWGU-UHFFFAOYSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55533116
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 55611728

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide (CID 9165720) is N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is NIJXLFXYDUZWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c1-9-3-5-11(22(2,20)21)8-12(9)15(19)18-10-4-6-13(16)14(17)7-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 325.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 9165720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).