2-chloro-5-(trifluoromethyl)benzenesulfonamide

C7H5ClF3NO2S — CID 4131856

IUPAC2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C7H5ClF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyVWGUZQVBGYSBEM-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.01
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)benzenesulfonamide

2-chloro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 4131856) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID4131856
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C7H5ClF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyVWGUZQVBGYSBEM-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 2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(trifluoromethyl)benzenesulfonamide (CID 4131856) is 2-chloro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VWGUZQVBGYSBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of 2-chloro-5-(trifluoromethyl)benzenesulfonamide?
2-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 2-chloro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4131856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).