4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide

C14H15NO5S2 — CID 167906551

IUPAC4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO5S2/c16-13-6-8-14(9-7-13)22(19,20)15-21(17,18)11-10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2
InChIKeyFMCOZRBSWVEAFW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.24
Rot. Bonds6

About 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide

4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide (PubChem CID 167906551) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide
PubChem CID167906551
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO5S2/c16-13-6-8-14(9-7-13)22(19,20)15-21(17,18)11-10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2
InChIKeyFMCOZRBSWVEAFW-UHFFFAOYSA-N
XLogP1.24
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzylsulfonylbenzenesulfonamide
CID 102116917
N-(benzenesulfonyl)-2-(4-hydroxyphenyl)acetamide
CID 139754141
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
4-[3-[4-[4-(benzenesulfonyl)phenyl]butyl]phenyl]sulfonylphenol
CID 68776977
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide
CID 110292134
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide (CID 167906551) is 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide is O=S(=O)(CCc1ccccc1)NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide?
The InChIKey is FMCOZRBSWVEAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c16-13-6-8-14(9-7-13)22(19,20)15-21(17,18)11-10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2.
What are the key properties of 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide?
4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 167906551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).