4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide

C21H25ClN2O4S — CID 108565571

IUPAC4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESCCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-28-19-7-3-16(4-8-19)15-21(25)24-13-11-18(12-14-24)23-29(26,27)20-9-5-17(22)6-10-20/h3-10,18,23H,2,11-15H2,1H3
InChIKeyLIKVNPXAGZIXHP-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.25
Rot. Bonds7

About 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide

4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 108565571) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
PubChem CID108565571
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESCCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-28-19-7-3-16(4-8-19)15-21(25)24-13-11-18(12-14-24)23-29(26,27)20-9-5-17(22)6-10-20/h3-10,18,23H,2,11-15H2,1H3
InChIKeyLIKVNPXAGZIXHP-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 108565545
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide (CID 108565571) is 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide is CCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is LIKVNPXAGZIXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-28-19-7-3-16(4-8-19)15-21(25)24-13-11-18(12-14-24)23-29(26,27)20-9-5-17(22)6-10-20/h3-10,18,23H,2,11-15H2,1H3.
What are the key properties of 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108565571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).