N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide

C16H23ClN2O3S — CID 3236552

IUPACN-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)19-9-7-13(8-10-19)16(20)18-12-14-5-3-4-6-15(14)17/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyBKLRXYMKCNYNGS-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.41
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3236552) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3236552
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)19-9-7-13(8-10-19)16(20)18-12-14-5-3-4-6-15(14)17/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyBKLRXYMKCNYNGS-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-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
N-(2,4-dichlorobenzyl)-1-(mesitylsulfonyl)-4-piperidinecarboxamide
CID 1306384
N1-(2,4-dichlorobenzyl)-N4-(2-(methylsulfonyl)ethyl)piperidine-1,4-dicarboxamide
CID 24748557
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
N-(2-chloro-6-fluorobenzyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 44591963
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 1081036
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2265253

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 3236552) is N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is BKLRXYMKCNYNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)19-9-7-13(8-10-19)16(20)18-12-14-5-3-4-6-15(14)17/h3-6,13H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 3236552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).