4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfonyl}aniline|4-[3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfonyl]aniline|4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfonyl}aniline|4-{[3-Chloro-...

General Information

Structure

Molecular Formula

C₁₂H₈ClF₃N₂O₂S

Molecular Mass

336.7173296

Exact Mass

335.99471085

Charge

InChI

InChI=1S/C12H8ClF3N2O2S/c13-10-5-7(12(14,15)16)6-18-11(10)21(19,20)9-3-1-8(17)2-4-9/h1-6H,17H2

InChIKey

CFEPRNMRCPLYLP-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)S(=O)(=O)c1ncc(cc1Cl)C(F)(F)F

Isomeric Smiles

S(=O)(=O)(c1ncc(C(F)(F)F)cc1Cl)c1ccc(N)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9577768

LogD (pH = 7.4)

2.957832

Log P

2.9578328

Molar Refractivity

73.2257

Polarizability

27.848345

Polar Surface Area

73.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfonyl}aniline

IUPAC Traditional name

4-[3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfonyl]aniline

Synonyms

4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfonyl}aniline4-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulphonyl}aniline2-[(4-Aminophenyl)sulphonyl]-3-chloro-5-(trifluoromethyl)pyridine4-Aminophenyl 3-chloro-5-(trifluoromethyl)pyridin-2-yl sulphone4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl}aniline

Names and Identifiers

Registration numbers

PubChem SID

162056099

PubChem CID

50853253

MDL Number

MFCD16140340

Registration numbers

Properties

Safety Information

TSCA Listed