N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide

C15H17NO4S — CID 67682643

IUPACN-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C15H17NO4S/c1-3-20-13-9-7-12(8-10-13)16-21(18,19)14-6-4-5-11(2)15(14)17/h4-10,16-17H,3H2,1-2H3
InChIKeyVHHJCTVUNSOTCN-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.90
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide

N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide (PubChem CID 67682643) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide
PubChem CID67682643
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C15H17NO4S/c1-3-20-13-9-7-12(8-10-13)16-21(18,19)14-6-4-5-11(2)15(14)17/h4-10,16-17H,3H2,1-2H3
InChIKeyVHHJCTVUNSOTCN-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide (CID 67682643) is N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cccc(C)c2O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide?
The InChIKey is VHHJCTVUNSOTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-20-13-9-7-12(8-10-13)16-21(18,19)14-6-4-5-11(2)15(14)17/h4-10,16-17H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide?
N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 67682643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).