2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

C13H9ClF3NO3S — CID 134625852

IUPAC2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3NO3S/c14-10-7-8(5-6-12(10)22(18,19)20)9-3-1-2-4-11(9)21-13(15,16)17/h1-7H,(H2,18,19,20)
InChIKeyZKVQMAUUMFXATI-UHFFFAOYSA-N
MW351.73 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 134625852) has the molecular formula C13H9ClF3NO3S and a molecular weight of 351.73 g/mol. Its IUPAC name is 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID134625852
Molecular FormulaC13H9ClF3NO3S
Molecular Weight351.73 g/mol
Exact Mass350.99
IUPAC Name2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3NO3S/c14-10-7-8(5-6-12(10)22(18,19)20)9-3-1-2-4-11(9)21-13(15,16)17/h1-7H,(H2,18,19,20)
InChIKeyZKVQMAUUMFXATI-UHFFFAOYSA-N
XLogP3.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
CID 118807452
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
ethyl 2-hydroxy-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633108
ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633451
4-(2-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 173126737
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
CID 165350148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 134625852) is 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is ZKVQMAUUMFXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO3S/c14-10-7-8(5-6-12(10)22(18,19)20)9-3-1-2-4-11(9)21-13(15,16)17/h1-7H,(H2,18,19,20).
What are the key properties of 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 351.73 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 134625852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).