N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide

C15H17NO3S — CID 79001394

IUPACN-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H17NO3S/c1-12-11-14(17)7-8-15(12)16-20(18,19)10-9-13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3
InChIKeyAKUSKOGIWNQNOY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.69
Rot. Bonds5

About N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide

N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide (PubChem CID 79001394) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
PubChem CID79001394
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H17NO3S/c1-12-11-14(17)7-8-15(12)16-20(18,19)10-9-13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3
InChIKeyAKUSKOGIWNQNOY-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.69
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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Related Compounds

N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
CID 107652044
N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80689891
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide
CID 71920934
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
2-(2-phenylethylsulfonylamino)benzamide
CID 110756518
4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide
CID 167906551
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide (CID 79001394) is N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide is Cc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide?
The InChIKey is AKUSKOGIWNQNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-11-14(17)7-8-15(12)16-20(18,19)10-9-13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3.
What are the key properties of N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide?
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 79001394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).