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

C21H24Cl2FN3O3S — CID 44564766

IUPAC2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
SMILESCC(F)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C21H24Cl2FN3O3S/c1-15(24)13-31(29,30)27-10-7-21(8-11-27,19-4-2-3-9-25-19)14-26-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,26,28)
InChIKeyAPNRKEHPFWVCRH-UHFFFAOYSA-N
MW488.41 g/mol
LogP3.84
Rot. Bonds7

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

2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide (PubChem CID 44564766) has the molecular formula C21H24Cl2FN3O3S and a molecular weight of 488.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
PubChem CID44564766
Molecular FormulaC21H24Cl2FN3O3S
Molecular Weight488.41 g/mol
Exact Mass487.09
IUPAC Name2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
SMILESCC(F)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1
InChIInChI=1S/C21H24Cl2FN3O3S/c1-15(24)13-31(29,30)27-10-7-21(8-11-27,19-4-2-3-9-25-19)14-26-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,26,28)
InChIKeyAPNRKEHPFWVCRH-UHFFFAOYSA-N
XLogP3.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591764
3,6-dichloro-2-fluoro-N-((1-(propylsulfonyl)-4-(pyridine-2-yL)piperidin-4-yl)methyl)benzamide
CID 11155673
2,4-dichloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11496738
2-chloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11503316
2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11503732
(S)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)ethyl)benzamide
CID 11503999
2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11517722
2,4-dichloro-N-((1-(ethylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11539784
2,4-dichloro-N-((1-(methylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11583046
2,4-dichloro-N-((1-(cyclopropylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11583581
2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11583627
2-amino-6-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11619325

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide (CID 44564766) is 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide is CC(F)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1.
What is the InChIKey of 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
The InChIKey is APNRKEHPFWVCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2FN3O3S/c1-15(24)13-31(29,30)27-10-7-21(8-11-27,19-4-2-3-9-25-19)14-26-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,26,28).
What are the key properties of 2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[1-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide has a molecular weight of 488.41 g/mol, XLogP of 3.84, 7 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-(2-fluoropropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 44564766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).