1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C19H27Cl2N3O4S — CID 24820061

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O4S/c20-16-3-1-4-17(21)18(16)29(26,27)24-9-5-15(6-10-24)19(25)22-7-2-8-23-11-13-28-14-12-23/h1,3-4,15H,2,5-14H2,(H,22,25)
InChIKeyMPWSQHISFKUTTH-UHFFFAOYSA-N
MW464.42 g/mol
LogP2.23
Rot. Bonds7

About 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 24820061) has the molecular formula C19H27Cl2N3O4S and a molecular weight of 464.42 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID24820061
Molecular FormulaC19H27Cl2N3O4S
Molecular Weight464.42 g/mol
Exact Mass463.11
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O4S/c20-16-3-1-4-17(21)18(16)29(26,27)24-9-5-15(6-10-24)19(25)22-7-2-8-23-11-13-28-14-12-23/h1,3-4,15H,2,5-14H2,(H,22,25)
InChIKeyMPWSQHISFKUTTH-UHFFFAOYSA-N
XLogP2.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 24820061) is 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is MPWSQHISFKUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O4S/c20-16-3-1-4-17(21)18(16)29(26,27)24-9-5-15(6-10-24)19(25)22-7-2-8-23-11-13-28-14-12-23/h1,3-4,15H,2,5-14H2,(H,22,25).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 464.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 24820061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).