N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C14H8ClF6NO2S — CID 3771734

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6NO2S/c15-11-5-4-9(14(19,20)21)7-12(11)22-25(23,24)10-3-1-2-8(6-10)13(16,17)18/h1-7,22H
InChIKeyXGLAYARRWMZBBV-UHFFFAOYSA-N
MW403.73 g/mol
LogP5.18
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3771734) has the molecular formula C14H8ClF6NO2S and a molecular weight of 403.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3771734
Molecular FormulaC14H8ClF6NO2S
Molecular Weight403.73 g/mol
Exact Mass402.99
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6NO2S/c15-11-5-4-9(14(19,20)21)7-12(11)22-25(23,24)10-3-1-2-8(6-10)13(16,17)18/h1-7,22H
InChIKeyXGLAYARRWMZBBV-UHFFFAOYSA-N
XLogP5.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 3771734) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XGLAYARRWMZBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO2S/c15-11-5-4-9(14(19,20)21)7-12(11)22-25(23,24)10-3-1-2-8(6-10)13(16,17)18/h1-7,22H.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 403.73 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3771734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).