N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide

C17H21NO4S — CID 706367

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1
InChIInChI=1S/C17H21NO4S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23(20,21)14-7-5-13(22-4)6-8-14/h5-11,18-19H,1-4H3
InChIKeyNGWJQCDRHNFCSY-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.63
Rot. Bonds5

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 706367) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
PubChem CID706367
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1
InChIInChI=1S/C17H21NO4S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23(20,21)14-7-5-13(22-4)6-8-14/h5-11,18-19H,1-4H3
InChIKeyNGWJQCDRHNFCSY-UHFFFAOYSA-N
XLogP3.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Tti-101
CID 1324494
N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 2906141
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
N-(4-hydroxy-5-isopropyl-2-methylphenyl)-4-methylbenzenesulfonamide
CID 747928
N-(4-hydroxy-1-naphthyl)-2,5-dimethoxybenzenesulfonamide
CID 1242540
N-(3-(2-aminoethyl)-4-methoxyphenyl)benzenesulfonamide
CID 11849204
Pcmd-CC-mcm-221
CID 16738589
4-methoxy-N-(4-methoxy-2,6-dimethylphenyl)benzenesulfonamide
CID 118707084
N-(4-hydroxy-2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 702202
4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 136174597
N-(4-hydroxy-2-isopropyl-5-methylphenyl)-4-methoxybenzenesulfonamide
CID 706370
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
CID 747923

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide (CID 706367) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is NGWJQCDRHNFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23(20,21)14-7-5-13(22-4)6-8-14/h5-11,18-19H,1-4H3.
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 706367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).