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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Related Compounds

N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
5-(2-pyridin-2-ylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614071
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
4-methyl-N-[2-[[(1R,2R)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl-(pyridin-2-ylmethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 101423322
3-(2-pyridin-2-ylethylsulfamoyl)benzenecarbothioamide
CID 29293837
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516

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).