N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide

C15H14F3NO2S — CID 160737996

IUPACN-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide
SMILESCc1ccc(Cc2c(NS(C)(=O)=O)ccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO2S/c1-9-3-4-10(13(17)7-9)8-11-14(19-22(2,20)21)6-5-12(16)15(11)18/h3-7,19H,8H2,1-2H3
InChIKeyRVEXRWZNYIXLGF-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.37
Rot. Bonds4

About N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide

N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide (PubChem CID 160737996) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide
PubChem CID160737996
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide
SMILESCc1ccc(Cc2c(NS(C)(=O)=O)ccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO2S/c1-9-3-4-10(13(17)7-9)8-11-14(19-22(2,20)21)6-5-12(16)15(11)18/h3-7,19H,8H2,1-2H3
InChIKeyRVEXRWZNYIXLGF-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide
CID 58133117
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 58133015
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2-[2-(dimethylamino)ethylamino]ethanesulfonamide
CID 58133059
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]piperidine-4-sulfonamide
CID 58133055
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
CID 143879990
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
2-fluoro-4-methyl-N-(3-methylsulfonylpropyl)aniline
CID 63190667
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide (CID 160737996) is N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide is Cc1ccc(Cc2c(NS(C)(=O)=O)ccc(F)c2F)c(F)c1.
What is the InChIKey of N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide?
The InChIKey is RVEXRWZNYIXLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-9-3-4-10(13(17)7-9)8-11-14(19-22(2,20)21)6-5-12(16)15(11)18/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide?
N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 160737996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).