N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide

C15H17NO3S — CID 849208

IUPACN-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-3-19-14-6-4-5-13(11-14)16-20(17,18)15-9-7-12(2)8-10-15/h4-11,16H,3H2,1-2H3
InChIKeyJSMTXPQUZWIFQU-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.19
Rot. Bonds5

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

N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 849208) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID849208
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-3-19-14-6-4-5-13(11-14)16-20(17,18)15-9-7-12(2)8-10-15/h4-11,16H,3H2,1-2H3
InChIKeyJSMTXPQUZWIFQU-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide (CID 849208) is N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is JSMTXPQUZWIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-19-14-6-4-5-13(11-14)16-20(17,18)15-9-7-12(2)8-10-15/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 849208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).