2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C19H28ClN3O3S — CID 50768014

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCCC1
InChIInChI=1S/C19H28ClN3O3S/c20-17-3-5-18(6-4-17)27(25,26)23-12-7-16(8-13-23)15-19(24)21-9-14-22-10-1-2-11-22/h3-6,16H,1-2,7-15H2,(H,21,24)
InChIKeyHTCWBBJHYLNRGX-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.34
Rot. Bonds7

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 50768014) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID50768014
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCCC1
InChIInChI=1S/C19H28ClN3O3S/c20-17-3-5-18(6-4-17)27(25,26)23-12-7-16(8-13-23)15-19(24)21-9-14-22-10-1-2-11-22/h3-6,16H,1-2,7-15H2,(H,21,24)
InChIKeyHTCWBBJHYLNRGX-UHFFFAOYSA-N
XLogP2.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53118995
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768020
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 92888154
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(4-chlorophenyl)sulfonylpiperidine;ethane;methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 142272873
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46294824
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 50768014) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is HTCWBBJHYLNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c20-17-3-5-18(6-4-17)27(25,26)23-12-7-16(8-13-23)15-19(24)21-9-14-22-10-1-2-11-22/h3-6,16H,1-2,7-15H2,(H,21,24).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 413.97 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 50768014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).