4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide

C15H13ClF3NO2S — CID 1309330

IUPAC4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)23(21,22)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyZDDANHVLXIBFFN-UHFFFAOYSA-N
MW363.79 g/mol
LogP3.88
Rot. Bonds5

About 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 1309330) has the molecular formula C15H13ClF3NO2S and a molecular weight of 363.79 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID1309330
Molecular FormulaC15H13ClF3NO2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)23(21,22)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyZDDANHVLXIBFFN-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 1309330) is 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZDDANHVLXIBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)23(21,22)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2.
What are the key properties of 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 363.79 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1309330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).