2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide

C92H98Cl4F6N20O12S4 — CID 90762826

IUPAC2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1Cl
InChIInChI=1S/2C23H24ClF2N5O3S.2C23H25ClFN5O3S/c1-15-10-17(24)16(11-19(15)26)22(32)28-13-23(21-18(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)20-12-30(2)14-29-20;1-15-5-6-16(25)19(20(15)24)22(32)28-13-23(21-17(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)18-12-30(2)14-29-18;1-16-5-6-18(19(24)12-16)22(31)27-15-23(21-20(25)4-3-9-26-21)7-10-30(11-8-23)34(32,33)17-13-28-29(2)14-17;1-16-5-6-17(18(24)12-16)22(31)27-14-23(21-19(25)4-3-9-26-21)7-10-30(11-8-23)34(32,33)20-13-29(2)15-28-20/h3-4,7,10-12,14H,5-6,8-9,13H2,1-2H3,(H,28,32);3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,28,32);3-6,9,12-14H,7-8,10-11,15H2,1-2H3,(H,27,31);3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,27,31)
InChIKeyZSDCWVVLNXDHIO-UHFFFAOYSA-N
MW2059.99 g/mol
LogP12.55
Rot. Bonds24

About 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide

2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide (PubChem CID 90762826) has the molecular formula C92H98Cl4F6N20O12S4 and a molecular weight of 2059.99 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
PubChem CID90762826
Molecular FormulaC92H98Cl4F6N20O12S4
Molecular Weight2059.99 g/mol
Exact Mass2056.52
IUPAC Name2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1Cl
InChIInChI=1S/2C23H24ClF2N5O3S.2C23H25ClFN5O3S/c1-15-10-17(24)16(11-19(15)26)22(32)28-13-23(21-18(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)20-12-30(2)14-29-20;1-15-5-6-16(25)19(20(15)24)22(32)28-13-23(21-17(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)18-12-30(2)14-29-18;1-16-5-6-18(19(24)12-16)22(31)27-15-23(21-20(25)4-3-9-26-21)7-10-30(11-8-23)34(32,33)17-13-28-29(2)14-17;1-16-5-6-17(18(24)12-16)22(31)27-14-23(21-19(25)4-3-9-26-21)7-10-30(11-8-23)34(32,33)20-13-29(2)15-28-20/h3-4,7,10-12,14H,5-6,8-9,13H2,1-2H3,(H,28,32);3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,28,32);3-6,9,12-14H,7-8,10-11,15H2,1-2H3,(H,27,31);3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,27,31)
InChIKeyZSDCWVVLNXDHIO-UHFFFAOYSA-N
XLogP12.55
TPSA388.76 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.99
LogP ≤ 512.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide (CID 90762826) is 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide is Cc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
The InChIKey is ZSDCWVVLNXDHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24ClF2N5O3S.2C23H25ClFN5O3S/c1-15-10-17(24)16(11-19(15)26)22(32)28-13-23(21-18(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)20-12-30(2)14-29-20;1-15-5-6-16(25)19(20(15)24)22(32)28-13-23(21-17(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)18-12-30(2)14-29-18;1-16-5-6-18(19(24)12-16)22(31)27-15-23(21-20(25)4-3-9-26-21)7-10-30(11-8-23)34(32,33)17-13-28-29(2)14-17;1-16-5-6-17(18(24)12-16)22(31)27-14-23(21-19(25)4-3-9-26-21)7-10-30(11-8-23)34(32,33)20-13-29(2)15-28-20/h3-4,7,10-12,14H,5-6,8-9,13H2,1-2H3,(H,28,32);3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,28,32);3-6,9,12-14H,7-8,10-11,15H2,1-2H3,(H,27,31);3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,27,31).
What are the key properties of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide?
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide has a molecular weight of 2059.99 g/mol, XLogP of 12.55, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 90762826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).