N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide

C14H15NO3S — CID 747919

IUPACN-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3
InChIKeyGLDVWHQVGHPIFH-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.81
Rot. Bonds3

About N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide

N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide (PubChem CID 747919) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
PubChem CID747919
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC NameN-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3
InChIKeyGLDVWHQVGHPIFH-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.81
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

4-Amino-3,5-dimethylphenol
CID 76543
N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
N-(4-hydroxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 754032
N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 2906141
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 846970
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 697331
N-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-methylbenzenesulfonamide
CID 747928
4-methoxy-N-(4-methoxy-2,6-dimethylphenyl)benzenesulfonamide
CID 118707084
N-(4-hydroxyphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 1099250
N-[3-(benzenesulfonyl)-4-hydroxy-2,6-dimethylphenyl]benzenesulfonamide
CID 1271301
N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 702202

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide (CID 747919) is N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide is Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide?
The InChIKey is GLDVWHQVGHPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3.
What are the key properties of N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide?
N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide has a molecular weight of 277.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 747919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).