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

C17H24ClN3O3S — CID 3448161

IUPACN-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O3S/c18-16-6-2-1-5-15(16)13-19-17(22)14-7-11-21(12-8-14)25(23,24)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2,(H,19,22)
InChIKeyKODZGOREPPHOBM-UHFFFAOYSA-N
MW385.92 g/mol
LogP2.01
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3448161) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3448161
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H24ClN3O3S/c18-16-6-2-1-5-15(16)13-19-17(22)14-7-11-21(12-8-14)25(23,24)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2,(H,19,22)
InChIKeyKODZGOREPPHOBM-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
1-(4-bromophenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1276465
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(3S)-N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687016
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[(2-chlorophenyl)methyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26363632
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-[(2-chlorophenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 99958010
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3448161) is N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is KODZGOREPPHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c18-16-6-2-1-5-15(16)13-19-17(22)14-7-11-21(12-8-14)25(23,24)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 385.92 g/mol, XLogP of 2.01, 5 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-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3448161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).