2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide

C21H23Cl2FN4O3S — CID 59003515

IUPAC2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccccn2)CCN(S(=O)(=O)N2CC(F)C2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2FN4O3S/c22-15-4-5-17(18(23)11-15)20(29)26-14-21(19-3-1-2-8-25-19)6-9-27(10-7-21)32(30,31)28-12-16(24)13-28/h1-5,8,11,16H,6-7,9-10,12-14H2,(H,26,29)
InChIKeyNHSZCNOJLRGKNA-UHFFFAOYSA-N
MW501.41 g/mol
LogP3.05
Rot. Bonds6

About 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide

2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide (PubChem CID 59003515) has the molecular formula C21H23Cl2FN4O3S and a molecular weight of 501.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
PubChem CID59003515
Molecular FormulaC21H23Cl2FN4O3S
Molecular Weight501.41 g/mol
Exact Mass500.09
IUPAC Name2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccccn2)CCN(S(=O)(=O)N2CC(F)C2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2FN4O3S/c22-15-4-5-17(18(23)11-15)20(29)26-14-21(19-3-1-2-8-25-19)6-9-27(10-7-21)32(30,31)28-12-16(24)13-28/h1-5,8,11,16H,6-7,9-10,12-14H2,(H,26,29)
InChIKeyNHSZCNOJLRGKNA-UHFFFAOYSA-N
XLogP3.05
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide with MolForge

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Related Compounds

methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
2,4-dichloro-N-[2-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
CID 68898898
2-chloro-3,6-difluoro-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide;hydrochloride
CID 44564758
tert-butyl N-[4-[2-[(2,4-dichlorobenzoyl)amino]propan-2-yl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylcarbamate
CID 68688536
N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44565261
2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
CID 11634466
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
CID 143116417
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
CID 16678874
3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
CID 44565260

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide (CID 59003515) is 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide is O=C(NCC1(c2ccccn2)CCN(S(=O)(=O)N2CC(F)C2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
The InChIKey is NHSZCNOJLRGKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2FN4O3S/c22-15-4-5-17(18(23)11-15)20(29)26-14-21(19-3-1-2-8-25-19)6-9-27(10-7-21)32(30,31)28-12-16(24)13-28/h1-5,8,11,16H,6-7,9-10,12-14H2,(H,26,29).
What are the key properties of 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide has a molecular weight of 501.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 59003515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).