2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide

C23H21Cl2FN4O3S — CID 44591667

IUPAC2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2FN4O3S/c24-16-5-6-18(19(25)13-16)22(31)29-15-23(21-20(26)4-2-10-28-21)7-11-30(12-8-23)34(32,33)17-3-1-9-27-14-17/h1-6,9-10,13-14H,7-8,11-12,15H2,(H,29,31)
InChIKeyZPNPSZYIFSSROO-UHFFFAOYSA-N
MW523.42 g/mol
LogP4.07
Rot. Bonds6

About 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide

2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide (PubChem CID 44591667) has the molecular formula C23H21Cl2FN4O3S and a molecular weight of 523.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide
PubChem CID44591667
Molecular FormulaC23H21Cl2FN4O3S
Molecular Weight523.42 g/mol
Exact Mass522.07
IUPAC Name2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2FN4O3S/c24-16-5-6-18(19(25)13-16)22(31)29-15-23(21-20(26)4-2-10-28-21)7-11-30(12-8-23)34(32,33)17-3-1-9-27-14-17/h1-6,9-10,13-14H,7-8,11-12,15H2,(H,29,31)
InChIKeyZPNPSZYIFSSROO-UHFFFAOYSA-N
XLogP4.07
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-((3-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 44591763
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
2,6-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
2,4-dichloro-N-((4-(4-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11620014

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide (CID 44591667) is 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide is O=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide?
The InChIKey is ZPNPSZYIFSSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN4O3S/c24-16-5-6-18(19(25)13-16)22(31)29-15-23(21-20(26)4-2-10-28-21)7-11-30(12-8-23)34(32,33)17-3-1-9-27-14-17/h1-6,9-10,13-14H,7-8,11-12,15H2,(H,29,31).
What are the key properties of 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide has a molecular weight of 523.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 44591667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).