3-chloro-5-(trifluoromethyl)benzenesulfonamide

C7H5ClF3NO2S — CID 116700729

IUPAC3-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3NO2S/c8-5-1-4(7(9,10)11)2-6(3-5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyGHDLRWAJGHIRGX-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.01
Rot. Bonds1

About 3-chloro-5-(trifluoromethyl)benzenesulfonamide

3-chloro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 116700729) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID116700729
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name3-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3NO2S/c8-5-1-4(7(9,10)11)2-6(3-5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyGHDLRWAJGHIRGX-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-5-fluoro-2-methylbenzenesulfonamide
CID 2773665
2-Chloro-4-(trifluoromethyl)benzenesulfonamide
CID 2773925
2-Chloro-5-trifluoromethyl-benzenesulfonamide
CID 4131856
3-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 53338928
4-Chloro-3-(trifluoromethyl)benzenesulfonamide
CID 8317944
3-Chloro-5-(chloromethyl)benzene-1-sulfonamide
CID 91647653
3-Chloro-5-methylbenzenesulfonamide
CID 101597397
4-Chloro-2-(trifluoromethyl)benzenesulfonamide
CID 7509884
4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide
CID 18509307
3-Chloro-4-(trifluoromethyl)benzenesulfonamide
CID 19735373
5-Chloro-2-fluoro-4-methylbenzenesulfonamide
CID 40427492
2-Chloro-6-(trifluoromethyl)benzene-1-sulfonamide
CID 43363673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-5-(trifluoromethyl)benzenesulfonamide (CID 116700729) is 3-chloro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GHDLRWAJGHIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c8-5-1-4(7(9,10)11)2-6(3-5)15(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of 3-chloro-5-(trifluoromethyl)benzenesulfonamide?
3-chloro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 259.64 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 116700729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).