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

C17H25ClN2O3S — CID 78798151

IUPACN-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O3S/c1-3-4-11-19(2)17(21)14-9-12-20(13-10-14)24(22,23)16-7-5-15(18)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyRVOCFIDLXOXDAS-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.00
Rot. Bonds6

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

N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 78798151) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID78798151
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC NameN-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O3S/c1-3-4-11-19(2)17(21)14-9-12-20(13-10-14)24(22,23)16-7-5-15(18)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyRVOCFIDLXOXDAS-UHFFFAOYSA-N
XLogP3.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661720
1-(1,3-benzodioxol-5-ylsulfonyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 113005716
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 19449985
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
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-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 55950402
N-butyl-N-methyl-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 126458797

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 78798151) is N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is RVOCFIDLXOXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-3-4-11-19(2)17(21)14-9-12-20(13-10-14)24(22,23)16-7-5-15(18)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 372.92 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 78798151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).