1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

C16H22Cl2N2O4S — CID 2187606

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O4S/c1-24-10-2-7-19-16(21)12-5-8-20(9-6-12)25(22,23)15-11-13(17)3-4-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyZYPIVXIWJUIYPQ-UHFFFAOYSA-N
MW409.34 g/mol
LogP2.55
Rot. Bonds7

About 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 2187606) has the molecular formula C16H22Cl2N2O4S and a molecular weight of 409.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID2187606
Molecular FormulaC16H22Cl2N2O4S
Molecular Weight409.34 g/mol
Exact Mass408.07
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O4S/c1-24-10-2-7-19-16(21)12-5-8-20(9-6-12)25(22,23)15-11-13(17)3-4-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyZYPIVXIWJUIYPQ-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 60526283
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 6492332
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
1-(2,5-dichlorophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 3157088
N-[3-(4-chloro-2-methylphenoxy)propyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60578837
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 3161705
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 2187606) is 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is ZYPIVXIWJUIYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4S/c1-24-10-2-7-19-16(21)12-5-8-20(9-6-12)25(22,23)15-11-13(17)3-4-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 409.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 2187606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).