1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide

C14H18Cl2N2O4S — CID 24542610

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O4S/c1-17(22-2)14(19)10-5-7-18(8-6-10)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyDWTQQGVGVSBLOE-UHFFFAOYSA-N
MW381.28 g/mol
LogP2.41
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 24542610) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID24542610
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O4S/c1-17(22-2)14(19)10-5-7-18(8-6-10)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyDWTQQGVGVSBLOE-UHFFFAOYSA-N
XLogP2.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.41
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-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43022044
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 55625184
ethyl 2-[[1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 55985189
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7953770
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide (CID 24542610) is 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide is CON(C)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is DWTQQGVGVSBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-17(22-2)14(19)10-5-7-18(8-6-10)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 381.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24542610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).