N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C19H22ClN3O3S — CID 60532408

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)nc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O3S/c1-14-2-5-17(6-3-14)27(25,26)23-10-8-16(9-11-23)19(24)22-13-15-4-7-18(20)21-12-15/h2-7,12,16H,8-11,13H2,1H3,(H,22,24)
InChIKeyFPXHPCMOVRCRCI-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.76
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 60532408) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID60532408
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)nc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O3S/c1-14-2-5-17(6-3-14)27(25,26)23-10-8-16(9-11-23)19(24)22-13-15-4-7-18(20)21-12-15/h2-7,12,16H,8-11,13H2,1H3,(H,22,24)
InChIKeyFPXHPCMOVRCRCI-UHFFFAOYSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46513159
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17482582
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55749704

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 60532408) is N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)nc3)CC2)cc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FPXHPCMOVRCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-14-2-5-17(6-3-14)27(25,26)23-10-8-16(9-11-23)19(24)22-13-15-4-7-18(20)21-12-15/h2-7,12,16H,8-11,13H2,1H3,(H,22,24).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 60532408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).