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

C13H12INO3S — CID 3777511

IUPACN-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1O
InChIInChI=1S/C13H12INO3S/c1-9-2-5-11(8-13(9)16)15-19(17,18)12-6-3-10(14)4-7-12/h2-8,15-16H,1H3
InChIKeyQBADQKGNOSOSKL-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.11
Rot. Bonds3

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

N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide (PubChem CID 3777511) has the molecular formula C13H12INO3S and a molecular weight of 389.21 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide
PubChem CID3777511
Molecular FormulaC13H12INO3S
Molecular Weight389.21 g/mol
Exact Mass388.96
IUPAC NameN-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1O
InChIInChI=1S/C13H12INO3S/c1-9-2-5-11(8-13(9)16)15-19(17,18)12-6-3-10(14)4-7-12/h2-8,15-16H,1H3
InChIKeyQBADQKGNOSOSKL-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide (CID 3777511) is N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide?
The InChIKey is QBADQKGNOSOSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO3S/c1-9-2-5-11(8-13(9)16)15-19(17,18)12-6-3-10(14)4-7-12/h2-8,15-16H,1H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide?
N-(3-hydroxy-4-methylphenyl)-4-iodobenzenesulfonamide has a molecular weight of 389.21 g/mol, XLogP of 3.11, 3 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-iodobenzenesulfonamide is sourced from PubChem (CID 3777511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).