2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide

C17H18N2O3S — CID 3764247

IUPAC2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccccc1CCNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H18N2O3S/c1-2-22-16-9-5-3-7-14(16)11-12-19-23(20,21)17-10-6-4-8-15(17)13-18/h3-10,19H,2,11-12H2,1H3
InChIKeyTYPOIMAMJSCDDQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.48
Rot. Bonds7

About 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide

2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 3764247) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID3764247
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccccc1CCNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H18N2O3S/c1-2-22-16-9-5-3-7-14(16)11-12-19-23(20,21)17-10-6-4-8-15(17)13-18/h3-10,19H,2,11-12H2,1H3
InChIKeyTYPOIMAMJSCDDQ-UHFFFAOYSA-N
XLogP2.48
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3684734
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653682
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113010
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
2-[(2-cyanophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 9410662
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
N-(3-azidopropyl)-2-cyanobenzenesulfonamide
CID 61344901

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide (CID 3764247) is 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide is CCOc1ccccc1CCNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is TYPOIMAMJSCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-22-16-9-5-3-7-14(16)11-12-19-23(20,21)17-10-6-4-8-15(17)13-18/h3-10,19H,2,11-12H2,1H3.
What are the key properties of 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide?
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3764247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).