N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide

C8H8ClNO3S — CID 167723004

IUPACN-(4-chloro-2-hydroxyphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C8H8ClNO3S/c1-2-14(12,13)10-7-4-3-6(9)5-8(7)11/h2-5,10-11H,1H2
InChIKeyCEKADLOJCHFHRS-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.93
Rot. Bonds3

About N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide

N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide (PubChem CID 167723004) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)ethenesulfonamide
PubChem CID167723004
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC NameN-(4-chloro-2-hydroxyphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C8H8ClNO3S/c1-2-14(12,13)10-7-4-3-6(9)5-8(7)11/h2-5,10-11H,1H2
InChIKeyCEKADLOJCHFHRS-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide (CID 167723004) is N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide?
The InChIKey is CEKADLOJCHFHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-2-14(12,13)10-7-4-3-6(9)5-8(7)11/h2-5,10-11H,1H2.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide?
N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide has a molecular weight of 233.68 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)ethenesulfonamide is sourced from PubChem (CID 167723004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).