N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide

C16H19NO3S — CID 7339277

IUPACN-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-10-7-12(3)16(13(4)8-10)21(19,20)17-15-6-5-14(18)9-11(15)2/h5-9,17-18H,1-4H3
InChIKeyJOLQVCSACHHEIT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.43
Rot. Bonds3

About N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 7339277) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID7339277
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-10-7-12(3)16(13(4)8-10)21(19,20)17-15-6-5-14(18)9-11(15)2/h5-9,17-18H,1-4H3
InChIKeyJOLQVCSACHHEIT-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.43
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'}

Analyze N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 7339277) is N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is JOLQVCSACHHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-10-7-12(3)16(13(4)8-10)21(19,20)17-15-6-5-14(18)9-11(15)2/h5-9,17-18H,1-4H3.
What are the key properties of N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-hydroxy-2-methylphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.43, 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-methylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 7339277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).