4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide

C12H10ClNO3S — CID 787157

IUPAC4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H
InChIKeyMILGMZVNWOEDPJ-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide

4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 787157) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID787157
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H
InChIKeyMILGMZVNWOEDPJ-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide (CID 787157) is 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is MILGMZVNWOEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H.
What are the key properties of 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide?
4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).