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

C15H17NO4S — CID 2906141

IUPACN-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1
InChIInChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3
InChIKeyUXSFANIQULVRMS-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.82
Rot. Bonds4

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

N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 2906141) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
PubChem CID2906141
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1
InChIInChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3
InChIKeyUXSFANIQULVRMS-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.82
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'}

Analyze N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 747919
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 706367
N-{4-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-2,6-dimethylphenyl}benzenesulfonamide
CID 3503048
N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 118707082
4-methoxy-N-(4-methoxy-2,6-dimethylphenyl)benzenesulfonamide
CID 118707084
N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
CID 118707173
N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 825631
N-(2,4-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 711134
N-(4-hydroxy-2-isopropyl-5-methylphenyl)-4-methoxybenzenesulfonamide
CID 706370
3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 975397

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (CID 2906141) is N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)cc1.
What is the InChIKey of N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is UXSFANIQULVRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3.
What are the key properties of N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2906141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).