N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide

C18H25ClN2O4S — CID 91916201

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-26(23,24)21(17-7-11-25-12-8-17)16-5-9-20(10-6-16)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3
InChIKeyXIGWDYSGPDQSEB-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide (PubChem CID 91916201) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
PubChem CID91916201
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-26(23,24)21(17-7-11-25-12-8-17)16-5-9-20(10-6-16)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3
InChIKeyXIGWDYSGPDQSEB-UHFFFAOYSA-N
XLogP2.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91916198
N-cyclobutyl-N-[(4R)-1-(3-methylbenzoyl)azepan-4-yl]methanesulfonamide
CID 129333224
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
CID 110821024
(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
CID 91916187
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 5185117
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide (CID 91916201) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide is CS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is XIGWDYSGPDQSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-26(23,24)21(17-7-11-25-12-8-17)16-5-9-20(10-6-16)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3.
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 400.93 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 91916201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).