N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide

C18H18F3NO3S — CID 149288991

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide
SMILESCC(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1
InChIInChI=1S/C18H18F3NO3S/c1-11(2)10-26(24,25)14-5-3-4-12(8-14)18(23)22-13-6-7-16(19)15(9-13)17(20)21/h3-9,11,17H,10H2,1-2H3,(H,22,23)
InChIKeyXULVJSKFFMHODP-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.45
Rot. Bonds6

About N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide

N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide (PubChem CID 149288991) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide
PubChem CID149288991
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide
SMILESCC(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1
InChIInChI=1S/C18H18F3NO3S/c1-11(2)10-26(24,25)14-5-3-4-12(8-14)18(23)22-13-6-7-16(19)15(9-13)17(20)21/h3-9,11,17H,10H2,1-2H3,(H,22,23)
InChIKeyXULVJSKFFMHODP-UHFFFAOYSA-N
XLogP4.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide
CID 129212231
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
CID 149027225
tert-butyl N-[(2S)-3-[3-[(4-fluoro-3-methylphenyl)carbamoyl]phenyl]sulfonyl-2-methylpropyl]carbamate
CID 160774913
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
methyl 3-(2-methylpropylsulfonyl)benzoate
CID 118342719
N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
CID 159659770
N-(3-bromo-4-fluorophenyl)-3-[(3-methyloxetan-3-yl)methylsulfonyl]benzamide
CID 158482888
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26696750
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-3-methylsulfonylbenzamide
CID 166039818

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide (CID 149288991) is N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide is CC(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide?
The InChIKey is XULVJSKFFMHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-11(2)10-26(24,25)14-5-3-4-12(8-14)18(23)22-13-6-7-16(19)15(9-13)17(20)21/h3-9,11,17H,10H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide?
N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide is sourced from PubChem (CID 149288991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).