2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline

C13H9ClF3NO2S — CID 167530215

IUPAC2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H9ClF3NO2S/c14-9-3-1-2-4-11(9)21(19,20)12-7-8(13(15,16)17)5-6-10(12)18/h1-7H,18H2
InChIKeyPZQKUYGMMDEWOT-UHFFFAOYSA-N
MW335.73 g/mol
LogP3.77
Rot. Bonds2

About 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline

2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline (PubChem CID 167530215) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline
PubChem CID167530215
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC Name2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H9ClF3NO2S/c14-9-3-1-2-4-11(9)21(19,20)12-7-8(13(15,16)17)5-6-10(12)18/h1-7H,18H2
InChIKeyPZQKUYGMMDEWOT-UHFFFAOYSA-N
XLogP3.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline
CID 167530227
2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
2-[4-(trifluoromethyl)phenyl]sulfonylaniline
CID 71398620
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
sodium 2-chloro-5-(trifluoromethyl)benzenesulfonate
CID 50998749
2-[(2-methylphenyl)sulfonylmethyl]-4-(trifluoromethyl)aniline
CID 70344952
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
2-(4-tert-butylphenyl)sulfonylaniline
CID 71398614
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline (CID 167530215) is 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline?
The InChIKey is PZQKUYGMMDEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c14-9-3-1-2-4-11(9)21(19,20)12-7-8(13(15,16)17)5-6-10(12)18/h1-7H,18H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline?
2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline has a molecular weight of 335.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 167530215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).