N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide

C19H17NO3S — CID 3548703

IUPACN-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C19H17NO3S/c1-14-7-10-17(13-19(14)21)20-24(22,23)18-11-8-16(9-12-18)15-5-3-2-4-6-15/h2-13,20-21H,1H3
InChIKeyJEIJSDOYJYSHNP-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.17
Rot. Bonds4

About N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide

N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide (PubChem CID 3548703) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide
PubChem CID3548703
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C19H17NO3S/c1-14-7-10-17(13-19(14)21)20-24(22,23)18-11-8-16(9-12-18)15-5-3-2-4-6-15/h2-13,20-21H,1H3
InChIKeyJEIJSDOYJYSHNP-UHFFFAOYSA-N
XLogP4.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide (CID 3548703) is N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is JEIJSDOYJYSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-7-10-17(13-19(14)21)20-24(22,23)18-11-8-16(9-12-18)15-5-3-2-4-6-15/h2-13,20-21H,1H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide?
N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3548703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).