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

C14H12F3NO2S — CID 23626137

IUPAC[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-21(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChIKeyHCLDSBXOHDDBRK-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.16
Rot. Bonds3

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

[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (PubChem CID 23626137) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
PubChem CID23626137
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-21(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChIKeyHCLDSBXOHDDBRK-UHFFFAOYSA-N
XLogP3.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (CID 23626137) is [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The InChIKey is HCLDSBXOHDDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-21(18,19)20/h1-8H,9H2,(H2,18,19,20).
What are the key properties of [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
[4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 23626137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).