N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide

C15H21ClN2O3S — CID 3243460

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyPTSVUENASOVOGV-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3243460) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3243460
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyPTSVUENASOVOGV-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 3243460) is N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is PTSVUENASOVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3243460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).