N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide

C15H17NO3S — CID 702202

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-10-4-6-13(7-5-10)20(18,19)16-14-8-12(3)15(17)9-11(14)2/h4-9,16-17H,1-3H3
InChIKeyQNIIHIRGXOEHSK-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.12
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide

N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 702202) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID702202
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-10-4-6-13(7-5-10)20(18,19)16-14-8-12(3)15(17)9-11(14)2/h4-9,16-17H,1-3H3
InChIKeyQNIIHIRGXOEHSK-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.12
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-(4-hydroxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 754032
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
CID 104703
N-(4-hydroxynaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide
CID 746288
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 746362
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 846970
4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 1106000
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 747919
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 697331
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 706367
4-ethyl-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 726569
4-fluoro-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 746367

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide (CID 702202) is N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)cc1.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is QNIIHIRGXOEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-4-6-13(7-5-10)20(18,19)16-14-8-12(3)15(17)9-11(14)2/h4-9,16-17H,1-3H3.
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 702202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).