3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide

C16H19NO3S — CID 162672207

IUPAC3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(-c2ccc(OCC)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-17-21(18,19)16-7-5-6-14(12-16)13-8-10-15(11-9-13)20-4-2/h5-12,17H,3-4H2,1-2H3
InChIKeyWSGTXHYGSGKOPE-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.05
Rot. Bonds6

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

3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide (PubChem CID 162672207) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide
PubChem CID162672207
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(-c2ccc(OCC)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-17-21(18,19)16-7-5-6-14(12-16)13-8-10-15(11-9-13)20-4-2/h5-12,17H,3-4H2,1-2H3
InChIKeyWSGTXHYGSGKOPE-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide (CID 162672207) is 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cccc(-c2ccc(OCC)cc2)c1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide?
The InChIKey is WSGTXHYGSGKOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-17-21(18,19)16-7-5-6-14(12-16)13-8-10-15(11-9-13)20-4-2/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide?
3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 162672207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).