N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C14H18Cl2N2O3S — CID 1095182

IUPACN-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18(13-8-11(15)7-12(16)9-13)10-14(19)17-5-3-2-4-6-17/h7-9H,2-6,10H2,1H3
InChIKeyCKNRNKLBRRCIBC-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.77
Rot. Bonds4

About N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 1095182) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID1095182
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC NameN-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18(13-8-11(15)7-12(16)9-13)10-14(19)17-5-3-2-4-6-17/h7-9H,2-6,10H2,1H3
InChIKeyCKNRNKLBRRCIBC-UHFFFAOYSA-N
XLogP2.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 1095182) is N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is CKNRNKLBRRCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18(13-8-11(15)7-12(16)9-13)10-14(19)17-5-3-2-4-6-17/h7-9H,2-6,10H2,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 365.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 1095182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).