4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide

C19H17NO3S — CID 122194776

IUPAC4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO3S/c20-24(22,23)18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,19,21H,(H2,20,22,23)
InChIKeyPQRZEEYLOZESIW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.08
Rot. Bonds4

About 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide

4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide (PubChem CID 122194776) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide
PubChem CID122194776
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NO3S/c20-24(22,23)18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,19,21H,(H2,20,22,23)
InChIKeyPQRZEEYLOZESIW-UHFFFAOYSA-N
XLogP3.08
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-N-(4-(hydroxy(phenyl)methyl)phenethyl)-4-cyanobenzenesulfonamide
CID 44586247
4-[Hydroxy-[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194781
Benzhydryl 4-methylbenzenesulfonate
CID 227987
4'-(Hydroxymethyl)-(1,1'-biphenyl)-2-sulfonamide
CID 56604620
4-alpha-Hydroxyethylbenzenesulfonamide
CID 195007
Benzhydryl 4-methylbenzenesulfinate
CID 289147
N-{[3'-(Hydroxymethyl)biphenyl-4-Yl]methyl}benzenesulfonamide
CID 119025594
(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135061274
(1S,2S)-2-fluoro-1-(4-methylphenyl)-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135061587
[2,2,2-Trifluoro-1-(4-phenylphenyl)ethyl] 4-methylbenzenesulfonate
CID 164666702
2-(2-Hydroxy-2,2-diphenylethyl)-N-methylbenzene-1-sulfonamide
CID 273047
(4-Methylsulfonylphenyl)(naphth-2-yl)carbinol
CID 11472433

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide (CID 122194776) is 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C(O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide?
The InChIKey is PQRZEEYLOZESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c20-24(22,23)18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,19,21H,(H2,20,22,23).
What are the key properties of 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide?
4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(phenyl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 122194776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).