[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone

C20H28ClN3O5S2 — CID 55511723

IUPAC[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C20H28ClN3O5S2/c21-17-3-5-19(6-4-17)31(28,29)24-8-1-2-16(14-24)20(25)23-11-9-22(10-12-23)18-7-13-30(26,27)15-18/h3-6,16,18H,1-2,7-15H2
InChIKeyFRNCGQAEDKYFBN-UHFFFAOYSA-N
MW490.05 g/mol
LogP1.07
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone

[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone (PubChem CID 55511723) has the molecular formula C20H28ClN3O5S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
PubChem CID55511723
Molecular FormulaC20H28ClN3O5S2
Molecular Weight490.05 g/mol
Exact Mass489.12
IUPAC Name[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C20H28ClN3O5S2/c21-17-3-5-19(6-4-17)31(28,29)24-8-1-2-16(14-24)20(25)23-11-9-22(10-12-23)18-7-13-30(26,27)15-18/h3-6,16,18H,1-2,7-15H2
InChIKeyFRNCGQAEDKYFBN-UHFFFAOYSA-N
XLogP1.07
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31489709
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 55385193
ethyl 4-[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 98670288
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
CID 3883409
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 46489746
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 1231349
ethyl 1-[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 126234271
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55509949
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone (CID 55511723) is [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
The InChIKey is FRNCGQAEDKYFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S2/c21-17-3-5-19(6-4-17)31(28,29)24-8-1-2-16(14-24)20(25)23-11-9-22(10-12-23)18-7-13-30(26,27)15-18/h3-6,16,18H,1-2,7-15H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone?
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone has a molecular weight of 490.05 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55511723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).