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

C92H102Cl3F6N19O12S4 — CID 157201340

IUPAC2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cccnc3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1Cl.Cn1cc(S(=O)(=O)N2CCC(CNC(=O)C3CCCCC3)(c3ncccc3F)CC2)cn1
InChIInChI=1S/C24H24ClFN4O3S.2C23H24ClF2N5O3S.C22H30FN5O3S/c1-17-6-7-19(20(25)14-17)23(31)29-16-24(22-21(26)5-3-11-28-22)8-12-30(13-9-24)34(32,33)18-4-2-10-27-15-18;1-15-10-18(24)17(11-20(15)26)22(32)28-14-23(21-19(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)16-12-29-30(2)13-16;1-15-5-6-17(25)19(20(15)24)22(32)28-14-23(21-18(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)16-12-29-30(2)13-16;1-27-15-18(14-26-27)32(30,31)28-12-9-22(10-13-28,20-19(23)8-5-11-24-20)16-25-21(29)17-6-3-2-4-7-17/h2-7,10-11,14-15H,8-9,12-13,16H2,1H3,(H,29,31);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,28,32);3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,28,32);5,8,11,14-15,17H,2-4,6-7,9-10,12-13,16H2,1H3,(H,25,29)
InChIKeyAQVHNDIJUIQCMA-UHFFFAOYSA-N
MW2014.56 g/mol
LogP12.52
Rot. Bonds24

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

2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 157201340) has the molecular formula C92H102Cl3F6N19O12S4 and a molecular weight of 2014.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
PubChem CID157201340
Molecular FormulaC92H102Cl3F6N19O12S4
Molecular Weight2014.56 g/mol
Exact Mass2011.58
IUPAC Name2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cccnc3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1Cl.Cn1cc(S(=O)(=O)N2CCC(CNC(=O)C3CCCCC3)(c3ncccc3F)CC2)cn1
InChIInChI=1S/C24H24ClFN4O3S.2C23H24ClF2N5O3S.C22H30FN5O3S/c1-17-6-7-19(20(25)14-17)23(31)29-16-24(22-21(26)5-3-11-28-22)8-12-30(13-9-24)34(32,33)18-4-2-10-27-15-18;1-15-10-18(24)17(11-20(15)26)22(32)28-14-23(21-19(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)16-12-29-30(2)13-16;1-15-5-6-17(25)19(20(15)24)22(32)28-14-23(21-18(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)16-12-29-30(2)13-16;1-27-15-18(14-26-27)32(30,31)28-12-9-22(10-13-28,20-19(23)8-5-11-24-20)16-25-21(29)17-6-3-2-4-7-17/h2-7,10-11,14-15H,8-9,12-13,16H2,1H3,(H,29,31);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,28,32);3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,28,32);5,8,11,14-15,17H,2-4,6-7,9-10,12-13,16H2,1H3,(H,25,29)
InChIKeyAQVHNDIJUIQCMA-UHFFFAOYSA-N
XLogP12.52
TPSA383.83 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002014.56
LogP ≤ 512.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

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

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Related Compounds

2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 59164290
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
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 91189033
3-chloro-N-[(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]benzenesulfonamide;2,6-difluoro-N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-4-methylbenzamide;4-[3-(4-fluorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine;N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1-phenylmethanesulfonamide;N-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]cyclopropanecarboxamide
CID 159774646
2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-[(1-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-4-yl]methyl]-4-methylbenzamide
CID 161867126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide (CID 157201340) is 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide is Cc1cc(Cl)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1F.Cc1ccc(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cccnc3)CC2)c(Cl)c1.Cc1ccc(F)c(C(=O)NCC2(c3ncccc3F)CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1Cl.Cn1cc(S(=O)(=O)N2CCC(CNC(=O)C3CCCCC3)(c3ncccc3F)CC2)cn1.
What is the InChIKey of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is AQVHNDIJUIQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3S.2C23H24ClF2N5O3S.C22H30FN5O3S/c1-17-6-7-19(20(25)14-17)23(31)29-16-24(22-21(26)5-3-11-28-22)8-12-30(13-9-24)34(32,33)18-4-2-10-27-15-18;1-15-10-18(24)17(11-20(15)26)22(32)28-14-23(21-19(25)4-3-7-27-21)5-8-31(9-6-23)35(33,34)16-12-29-30(2)13-16;1-15-5-6-17(25)19(20(15)24)22(32)28-14-23(21-18(26)4-3-9-27-21)7-10-31(11-8-23)35(33,34)16-12-29-30(2)13-16;1-27-15-18(14-26-27)32(30,31)28-12-9-22(10-13-28,20-19(23)8-5-11-24-20)16-25-21(29)17-6-3-2-4-7-17/h2-7,10-11,14-15H,8-9,12-13,16H2,1H3,(H,29,31);3-4,7,10-13H,5-6,8-9,14H2,1-2H3,(H,28,32);3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,28,32);5,8,11,14-15,17H,2-4,6-7,9-10,12-13,16H2,1H3,(H,25,29).
What are the key properties of 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide?
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 2014.56 g/mol, XLogP of 12.52, 24 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 157201340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).