N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide

C15H14F3NO2S — CID 23625977

IUPACN-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H14F3NO2S/c1-19(22(2,20)21)14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10H,1-2H3
InChIKeyAFBXWHUCEIWHAS-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.77
Rot. Bonds3

About N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide

N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (PubChem CID 23625977) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
PubChem CID23625977
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H14F3NO2S/c1-19(22(2,20)21)14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10H,1-2H3
InChIKeyAFBXWHUCEIWHAS-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (CID 23625977) is N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is CN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The InChIKey is AFBXWHUCEIWHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-19(22(2,20)21)14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10H,1-2H3.
What are the key properties of N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 23625977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).