4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C21H26N2O3S — CID 67484231

IUPAC4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(/C=C(/CO)C2CCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c24-16-19(18-5-1-2-6-18)15-17-8-10-21(11-9-17)27(25,26)23-14-12-20-7-3-4-13-22-20/h3-4,7-11,13,15,18,23-24H,1-2,5-6,12,14,16H2/b19-15-
InChIKeyAHMFVHFVFGQEEN-CYVLTUHYSA-N
MW386.52 g/mol
LogP3.17
Rot. Bonds8

About 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 67484231) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID67484231
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(/C=C(/CO)C2CCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c24-16-19(18-5-1-2-6-18)15-17-8-10-21(11-9-17)27(25,26)23-14-12-20-7-3-4-13-22-20/h3-4,7-11,13,15,18,23-24H,1-2,5-6,12,14,16H2/b19-15-
InChIKeyAHMFVHFVFGQEEN-CYVLTUHYSA-N
XLogP3.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 67484231) is 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccn1)c1ccc(/C=C(/CO)C2CCCC2)cc1.
What is the InChIKey of 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is AHMFVHFVFGQEEN-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-16-19(18-5-1-2-6-18)15-17-8-10-21(11-9-17)27(25,26)23-14-12-20-7-3-4-13-22-20/h3-4,7-11,13,15,18,23-24H,1-2,5-6,12,14,16H2/b19-15-.
What are the key properties of 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclopentyl-3-hydroxyprop-1-enyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 67484231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).