3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

C15H17NO3S — CID 81259142

IUPAC3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C15H17NO3S/c1-11-6-8-13(9-7-11)12(2)16-20(18,19)15-5-3-4-14(17)10-15/h3-10,12,16-17H,1-2H3
InChIKeyCPNPONOSXGPKIM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.74
Rot. Bonds4

About 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 81259142) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID81259142
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C15H17NO3S/c1-11-6-8-13(9-7-11)12(2)16-20(18,19)15-5-3-4-14(17)10-15/h3-10,12,16-17H,1-2H3
InChIKeyCPNPONOSXGPKIM-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
N-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 81259142) is 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cccc(O)c2)cc1.
What is the InChIKey of 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is CPNPONOSXGPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-6-8-13(9-7-11)12(2)16-20(18,19)15-5-3-4-14(17)10-15/h3-10,12,16-17H,1-2H3.
What are the key properties of 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 81259142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).