3-chloro-4-(trifluoromethyl)benzenesulfonamide

C7H5ClF3NO2S — CID 19735373

IUPAC3-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H5ClF3NO2S/c8-6-3-4(15(12,13)14)1-2-5(6)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKeyATVZZPYJMSXDDW-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.01
Rot. Bonds1

About 3-chloro-4-(trifluoromethyl)benzenesulfonamide

3-chloro-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 19735373) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 3-chloro-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(trifluoromethyl)benzenesulfonamide
PubChem CID19735373
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name3-chloro-4-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H5ClF3NO2S/c8-6-3-4(15(12,13)14)1-2-5(6)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKeyATVZZPYJMSXDDW-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(trifluoromethyl)benzenesulfonamide (CID 19735373) is 3-chloro-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ATVZZPYJMSXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c8-6-3-4(15(12,13)14)1-2-5(6)7(9,10)11/h1-3H,(H2,12,13,14).
What are the key properties of 3-chloro-4-(trifluoromethyl)benzenesulfonamide?
3-chloro-4-(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-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 19735373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).