N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide

C13H9ClF3NO2S — CID 697916

IUPACN-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H9ClF3NO2S/c14-10-6-2-3-7-11(10)18-21(19,20)12-8-4-1-5-9(12)13(15,16)17/h1-8,18H
InChIKeyIRLDTNRTAHYIMS-UHFFFAOYSA-N
MW335.73 g/mol
LogP4.16
Rot. Bonds3

About N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 697916) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID697916
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC NameN-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H9ClF3NO2S/c14-10-6-2-3-7-11(10)18-21(19,20)12-8-4-1-5-9(12)13(15,16)17/h1-8,18H
InChIKeyIRLDTNRTAHYIMS-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 697916) is N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IRLDTNRTAHYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c14-10-6-2-3-7-11(10)18-21(19,20)12-8-4-1-5-9(12)13(15,16)17/h1-8,18H.
What are the key properties of N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 335.73 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 697916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).