4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide

C15H14F3NO2S — CID 10758715

IUPAC4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2S/c1-11-7-9-13(10-8-11)22(20,21)19-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14,19H,1H3
InChIKeyMWJPYKVXXYXYJY-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.58
Rot. Bonds4

About 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide

4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide (PubChem CID 10758715) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide
PubChem CID10758715
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC Name4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2S/c1-11-7-9-13(10-8-11)22(20,21)19-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14,19H,1H3
InChIKeyMWJPYKVXXYXYJY-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide (CID 10758715) is 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide?
The InChIKey is MWJPYKVXXYXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-11-7-9-13(10-8-11)22(20,21)19-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14,19H,1H3.
What are the key properties of 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide?
4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 10758715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).