1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide

C16H21ClN2O5S2 — CID 2998565

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O5S2/c17-12-4-6-14(7-5-12)26(23,24)19-9-2-1-3-15(19)16(20)18-13-8-10-25(21,22)11-13/h4-7,13,15H,1-3,8-11H2,(H,18,20)
InChIKeyMVEUSYKRGOCOEW-UHFFFAOYSA-N
MW420.94 g/mol
LogP1.19
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide (PubChem CID 2998565) has the molecular formula C16H21ClN2O5S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
PubChem CID2998565
Molecular FormulaC16H21ClN2O5S2
Molecular Weight420.94 g/mol
Exact Mass420.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O5S2/c17-12-4-6-14(7-5-12)26(23,24)19-9-2-1-3-15(19)16(20)18-13-8-10-25(21,22)11-13/h4-7,13,15H,1-3,8-11H2,(H,18,20)
InChIKeyMVEUSYKRGOCOEW-UHFFFAOYSA-N
XLogP1.19
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide (CID 2998565) is 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
The InChIKey is MVEUSYKRGOCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S2/c17-12-4-6-14(7-5-12)26(23,24)19-9-2-1-3-15(19)16(20)18-13-8-10-25(21,22)11-13/h4-7,13,15H,1-3,8-11H2,(H,18,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 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)piperidine-2-carboxamide is sourced from PubChem (CID 2998565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).