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

C17H21NO3S — CID 747928

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-11(2)15-10-16(13(4)9-17(15)19)18-22(20,21)14-7-5-12(3)6-8-14/h5-11,18-19H,1-4H3
InChIKeyZXOFRJDBDUMWCO-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.93
Rot. Bonds4

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

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide (PubChem CID 747928) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide
PubChem CID747928
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-11(2)15-10-16(13(4)9-17(15)19)18-22(20,21)14-7-5-12(3)6-8-14/h5-11,18-19H,1-4H3
InChIKeyZXOFRJDBDUMWCO-UHFFFAOYSA-N
XLogP3.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide (CID 747928) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(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-methylbenzenesulfonamide?
The InChIKey is ZXOFRJDBDUMWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-11(2)15-10-16(13(4)9-17(15)19)18-22(20,21)14-7-5-12(3)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-methylbenzenesulfonamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 747928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).