1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide

C14H19ClN2O4S — CID 27740023

IUPAC1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-16(21-2)14(18)11-7-9-17(10-8-11)22(19,20)13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyCOJQEQJMWKOALL-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.76
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 27740023) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID27740023
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-16(21-2)14(18)11-7-9-17(10-8-11)22(19,20)13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyCOJQEQJMWKOALL-UHFFFAOYSA-N
XLogP1.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 24542610
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 112770532

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide (CID 27740023) is 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide is CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is COJQEQJMWKOALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-16(21-2)14(18)11-7-9-17(10-8-11)22(19,20)13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 27740023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).