2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C23H27ClN4O4S — CID 43058782

IUPAC2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C23H27ClN4O4S/c24-19-9-4-5-10-20(19)25-22(29)17-26-13-15-27(16-14-26)23(30)21-11-6-12-28(21)33(31,32)18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,25,29)
InChIKeyKSAGSKBKPCDGFK-UHFFFAOYSA-N
MW491.01 g/mol
LogP2.28
Rot. Bonds6

About 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 43058782) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID43058782
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C23H27ClN4O4S/c24-19-9-4-5-10-20(19)25-22(29)17-26-13-15-27(16-14-26)23(30)21-11-6-12-28(21)33(31,32)18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,25,29)
InChIKeyKSAGSKBKPCDGFK-UHFFFAOYSA-N
XLogP2.28
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9372273
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[2-(2-chloroanilino)-2-oxoethyl] (2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2598923
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 40709587
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
N-(2-chlorophenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799844

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 43058782) is 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is KSAGSKBKPCDGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c24-19-9-4-5-10-20(19)25-22(29)17-26-13-15-27(16-14-26)23(30)21-11-6-12-28(21)33(31,32)18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2,(H,25,29).
What are the key properties of 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 491.01 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 43058782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).