N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide

C14H14ClNO3S — CID 693389

IUPACN-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2C)cc1
InChIInChI=1S/C14H14ClNO3S/c1-9-3-5-11(6-4-9)20(18,19)16-13-8-12(15)14(17)7-10(13)2/h3-8,16-17H,1-2H3
InChIKeyRXZVNDMOEPFRQW-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds3

About N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide

N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 693389) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID693389
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2C)cc1
InChIInChI=1S/C14H14ClNO3S/c1-9-3-5-11(6-4-9)20(18,19)16-13-8-12(15)14(17)7-10(13)2/h3-8,16-17H,1-2H3
InChIKeyRXZVNDMOEPFRQW-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.46
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-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide (CID 693389) is N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2C)cc1.
What is the InChIKey of N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is RXZVNDMOEPFRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-9-3-5-11(6-4-9)20(18,19)16-13-8-12(15)14(17)7-10(13)2/h3-8,16-17H,1-2H3.
What are the key properties of N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide?
N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-hydroxy-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 693389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).