4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C14H12F3NO2S — CID 711040

IUPAC4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-10-6-8-11(9-7-10)21(19,20)18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3
InChIKeyOKKLBZGYMORYHE-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.81
Rot. Bonds3

About 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 711040) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID711040
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-10-6-8-11(9-7-10)21(19,20)18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3
InChIKeyOKKLBZGYMORYHE-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 711040) is 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OKKLBZGYMORYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-10-6-8-11(9-7-10)21(19,20)18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3.
What are the key properties of 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 711040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).