1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide

C20H21ClF2N4O4S — CID 55509813

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21ClF2N4O4S/c1-24-20(29)17(13-4-5-14(22)15(23)11-13)26-19(28)12-6-9-27(10-7-12)32(30,31)16-3-2-8-25-18(16)21/h2-5,8,11-12,17H,6-7,9-10H2,1H3,(H,24,29)(H,26,28)
InChIKeyXNOGXPVBXPWWIC-UHFFFAOYSA-N
MW486.93 g/mol
LogP2.02
Rot. Bonds6

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55509813) has the molecular formula C20H21ClF2N4O4S and a molecular weight of 486.93 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55509813
Molecular FormulaC20H21ClF2N4O4S
Molecular Weight486.93 g/mol
Exact Mass486.09
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21ClF2N4O4S/c1-24-20(29)17(13-4-5-14(22)15(23)11-13)26-19(28)12-6-9-27(10-7-12)32(30,31)16-3-2-8-25-18(16)21/h2-5,8,11-12,17H,6-7,9-10H2,1H3,(H,24,29)(H,26,28)
InChIKeyXNOGXPVBXPWWIC-UHFFFAOYSA-N
XLogP2.02
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-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-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 55512060
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794396
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719602
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
N-(2-bromo-4-fluorophenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 55796665
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55502070
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 34312301
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55674032
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 55509813) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide is CNC(=O)C(NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is XNOGXPVBXPWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O4S/c1-24-20(29)17(13-4-5-14(22)15(23)11-13)26-19(28)12-6-9-27(10-7-12)32(30,31)16-3-2-8-25-18(16)21/h2-5,8,11-12,17H,6-7,9-10H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 486.93 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55509813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).