4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C15H18N2O3S — CID 2422567

IUPAC4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-6-8-15(9-7-14)21(18,19)17-12-10-13-5-3-4-11-16-13/h3-9,11,17H,2,10,12H2,1H3
InChIKeyFODXXQBRGSGUER-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.00
Rot. Bonds7

About 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 2422567) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID2422567
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-6-8-15(9-7-14)21(18,19)17-12-10-13-5-3-4-11-16-13/h3-9,11,17H,2,10,12H2,1H3
InChIKeyFODXXQBRGSGUER-UHFFFAOYSA-N
XLogP2.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 2422567) is 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is FODXXQBRGSGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-14-6-8-15(9-7-14)21(18,19)17-12-10-13-5-3-4-11-16-13/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2422567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).