N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide

C14H12F3NO2S — CID 11232296

IUPACN-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO2S/c1-21(19,20)18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15,16)17/h2-9,18H,1H3
InChIKeyGQYYVBWPOLGDDM-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.74
Rot. Bonds3

About N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide

N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (PubChem CID 11232296) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
PubChem CID11232296
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO2S/c1-21(19,20)18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15,16)17/h2-9,18H,1H3
InChIKeyGQYYVBWPOLGDDM-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide (CID 11232296) is N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
The InChIKey is GQYYVBWPOLGDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-21(19,20)18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide?
N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11232296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).