N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H18Cl2N2O3S — CID 1081272

IUPACN-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18-6-4-10(5-7-18)14(19)17-9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyLJQLITGFOGDTEI-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.28
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1081272) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1081272
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18-6-4-10(5-7-18)14(19)17-9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyLJQLITGFOGDTEI-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 1081272) is N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LJQLITGFOGDTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18-6-4-10(5-7-18)14(19)17-9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 365.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).