2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide

C7H5ClF3NO3S — CID 52939826

IUPAC2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NO)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3NO3S/c8-5-3-4(7(9,10)11)1-2-6(5)16(14,15)12-13/h1-3,12-13H
InChIKeyCRGRKPVYYZZUHX-UHFFFAOYSA-N
MW275.64 g/mol
LogP2.03
Rot. Bonds2

About 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 52939826) has the molecular formula C7H5ClF3NO3S and a molecular weight of 275.64 g/mol. Its IUPAC name is 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
PubChem CID52939826
Molecular FormulaC7H5ClF3NO3S
Molecular Weight275.64 g/mol
Exact Mass274.96
IUPAC Name2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NO)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3NO3S/c8-5-3-4(7(9,10)11)1-2-6(5)16(14,15)12-13/h1-3,12-13H
InChIKeyCRGRKPVYYZZUHX-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide (CID 52939826) is 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NO)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CRGRKPVYYZZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO3S/c8-5-3-4(7(9,10)11)1-2-6(5)16(14,15)12-13/h1-3,12-13H.
What are the key properties of 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 275.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52939826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).