N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide

C24H22Cl2FN3O3S — CID 44591668

IUPACN-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide
SMILESO=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2FN3O3S/c25-17-8-9-19(20(26)15-17)23(31)29-16-24(22-21(27)7-4-12-28-22)10-13-30(14-11-24)34(32,33)18-5-2-1-3-6-18/h1-9,12,15H,10-11,13-14,16H2,(H,29,31)
InChIKeyZXWRITIPJFBSCK-UHFFFAOYSA-N
MW522.43 g/mol
LogP4.68
Rot. Bonds6

About N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide

N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide (PubChem CID 44591668) has the molecular formula C24H22Cl2FN3O3S and a molecular weight of 522.43 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide
PubChem CID44591668
Molecular FormulaC24H22Cl2FN3O3S
Molecular Weight522.43 g/mol
Exact Mass521.07
IUPAC NameN-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide
SMILESO=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2FN3O3S/c25-17-8-9-19(20(26)15-17)23(31)29-16-24(22-21(27)7-4-12-28-22)10-13-30(14-11-24)34(32,33)18-5-2-1-3-6-18/h1-9,12,15H,10-11,13-14,16H2,(H,29,31)
InChIKeyZXWRITIPJFBSCK-UHFFFAOYSA-N
XLogP4.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide (CID 44591668) is N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide is O=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide?
The InChIKey is ZXWRITIPJFBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O3S/c25-17-8-9-19(20(26)15-17)23(31)29-16-24(22-21(27)7-4-12-28-22)10-13-30(14-11-24)34(32,33)18-5-2-1-3-6-18/h1-9,12,15H,10-11,13-14,16H2,(H,29,31).
What are the key properties of N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide?
N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide has a molecular weight of 522.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 44591668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).