2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide

C13H7Cl2F4NO2S — CID 51557780

IUPAC2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1F)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H7Cl2F4NO2S/c14-8-2-4-10(16)11(6-8)20-23(21,22)12-5-7(13(17,18)19)1-3-9(12)15/h1-6,20H
InChIKeyOHOPOAVPKYSPFW-UHFFFAOYSA-N
MW388.17 g/mol
LogP4.95
Rot. Bonds3

About 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 51557780) has the molecular formula C13H7Cl2F4NO2S and a molecular weight of 388.17 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID51557780
Molecular FormulaC13H7Cl2F4NO2S
Molecular Weight388.17 g/mol
Exact Mass386.95
IUPAC Name2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1F)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H7Cl2F4NO2S/c14-8-2-4-10(16)11(6-8)20-23(21,22)12-5-7(13(17,18)19)1-3-9(12)15/h1-6,20H
InChIKeyOHOPOAVPKYSPFW-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41077451
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide (CID 51557780) is 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1F)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OHOPOAVPKYSPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F4NO2S/c14-8-2-4-10(16)11(6-8)20-23(21,22)12-5-7(13(17,18)19)1-3-9(12)15/h1-6,20H.
What are the key properties of 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 388.17 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51557780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).