N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide

C16H23ClN2O3S — CID 4115045

IUPACN-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O3S/c1-2-10-23(21,22)19-9-5-7-14(12-19)16(20)18-11-13-6-3-4-8-15(13)17/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,18,20)
InChIKeyKQRJFUDEFPDJHS-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.41
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 4115045) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID4115045
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O3S/c1-2-10-23(21,22)19-9-5-7-14(12-19)16(20)18-11-13-6-3-4-8-15(13)17/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,18,20)
InChIKeyKQRJFUDEFPDJHS-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
(3S)-N-[3-(2-chlorophenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 95119030
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 86958161
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956462
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 4115045) is N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is KQRJFUDEFPDJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-10-23(21,22)19-9-5-7-14(12-19)16(20)18-11-13-6-3-4-8-15(13)17/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4115045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).