2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide

C13H9ClF3NO3S — CID 134626076

IUPAC2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1Cl
InChIInChI=1S/C13H9ClF3NO3S/c14-11-7-9(4-5-12(11)22(18,19)20)8-2-1-3-10(6-8)21-13(15,16)17/h1-7H,(H2,18,19,20)
InChIKeyWNGRKHUKJSKSBH-UHFFFAOYSA-N
MW351.73 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide

2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 134626076) has the molecular formula C13H9ClF3NO3S and a molecular weight of 351.73 g/mol. Its IUPAC name is 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID134626076
Molecular FormulaC13H9ClF3NO3S
Molecular Weight351.73 g/mol
Exact Mass350.99
IUPAC Name2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1Cl
InChIInChI=1S/C13H9ClF3NO3S/c14-11-7-9(4-5-12(11)22(18,19)20)8-2-1-3-10(6-8)21-13(15,16)17/h1-7H,(H2,18,19,20)
InChIKeyWNGRKHUKJSKSBH-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-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide
CID 143826022
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
1-chloro-3-nitro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 134629842
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 134626076) is 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is WNGRKHUKJSKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO3S/c14-11-7-9(4-5-12(11)22(18,19)20)8-2-1-3-10(6-8)21-13(15,16)17/h1-7H,(H2,18,19,20).
What are the key properties of 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide?
2-chloro-4-[3-(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-[3-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 134626076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).