4-(3-hydroxyphenyl)benzenesulfonamide

C12H11NO3S — CID 57090637

IUPAC4-(3-hydroxyphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C12H11NO3S/c13-17(15,16)12-6-4-9(5-7-12)10-2-1-3-11(14)8-10/h1-8,14H,(H2,13,15,16)
InChIKeyYCNSZHJPXUJVSG-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.71
Rot. Bonds2

About 4-(3-hydroxyphenyl)benzenesulfonamide

4-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 57090637) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID57090637
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-(3-hydroxyphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C12H11NO3S/c13-17(15,16)12-6-4-9(5-7-12)10-2-1-3-11(14)8-10/h1-8,14H,(H2,13,15,16)
InChIKeyYCNSZHJPXUJVSG-UHFFFAOYSA-N
XLogP1.71
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-hydroxyphenyl)benzenesulfonamide (CID 57090637) is 4-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-hydroxyphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 4-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is YCNSZHJPXUJVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c13-17(15,16)12-6-4-9(5-7-12)10-2-1-3-11(14)8-10/h1-8,14H,(H2,13,15,16).
What are the key properties of 4-(3-hydroxyphenyl)benzenesulfonamide?
4-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 249.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 57090637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).