5-chloro-2-(trifluoromethoxy)benzenesulfonamide

C7H5ClF3NO3S — CID 11022143

IUPAC5-chloro-2-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO3S/c8-4-1-2-5(15-7(9,10)11)6(3-4)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyMVGMXURJMZKGJS-UHFFFAOYSA-N
MW275.64 g/mol
LogP1.89
Rot. Bonds2

About 5-chloro-2-(trifluoromethoxy)benzenesulfonamide

5-chloro-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 11022143) has the molecular formula C7H5ClF3NO3S and a molecular weight of 275.64 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID11022143
Molecular FormulaC7H5ClF3NO3S
Molecular Weight275.64 g/mol
Exact Mass274.96
IUPAC Name5-chloro-2-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C7H5ClF3NO3S/c8-4-1-2-5(15-7(9,10)11)6(3-4)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyMVGMXURJMZKGJS-UHFFFAOYSA-N
XLogP1.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(trifluoromethoxy)benzenesulfonamide (CID 11022143) is 5-chloro-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of 5-chloro-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MVGMXURJMZKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO3S/c8-4-1-2-5(15-7(9,10)11)6(3-4)16(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of 5-chloro-2-(trifluoromethoxy)benzenesulfonamide?
5-chloro-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 275.64 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 11022143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).