1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide

C17H23ClN2O5S2 — CID 3883409

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23ClN2O5S2/c1-19(15-8-10-26(22,23)12-15)17(21)13-3-2-9-20(11-13)27(24,25)16-6-4-14(18)5-7-16/h4-7,13,15H,2-3,8-12H2,1H3
InChIKeyPZFRQQAHIGPZGK-UHFFFAOYSA-N
MW434.97 g/mol
LogP1.39
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 3883409) has the molecular formula C17H23ClN2O5S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
PubChem CID3883409
Molecular FormulaC17H23ClN2O5S2
Molecular Weight434.97 g/mol
Exact Mass434.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23ClN2O5S2/c1-19(15-8-10-26(22,23)12-15)17(21)13-3-2-9-20(11-13)27(24,25)16-6-4-14(18)5-7-16/h4-7,13,15H,2-3,8-12H2,1H3
InChIKeyPZFRQQAHIGPZGK-UHFFFAOYSA-N
XLogP1.39
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide 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

(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-(3-nitrophenyl)sulfonylpiperidine-3-carboxamide
CID 41144914
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 25480352
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 26707908
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55511723
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 24674316
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide (CID 3883409) is 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is PZFRQQAHIGPZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O5S2/c1-19(15-8-10-26(22,23)12-15)17(21)13-3-2-9-20(11-13)27(24,25)16-6-4-14(18)5-7-16/h4-7,13,15H,2-3,8-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 3883409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).