3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide

C91H70F14N16O9S4 — CID 157179879

IUPAC3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C)cc1.Cc1ccc(-c2ccncc2)cc1-c1c(C)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1c(F)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C24H19F3N4O3S.C23H19F3N4O2S.2C22H16F4N4O2S/c1-15-3-4-18(17-9-11-28-12-10-17)13-21(15)22-14-23(24(25,26)27)29-31(22)19-5-7-20(8-6-19)35(33,34)30-16(2)32;1-14-3-4-17(16-9-11-28-12-10-16)13-20(14)21-15(2)22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-15(14-8-10-28-11-9-14)12-18(13)20-19(23)21(22(24,25)26)29-30(20)16-4-6-17(7-5-16)33(27,31)32;1-13-2-3-15(14-6-8-28-9-7-14)10-17(13)20-12-21(22(24,25)26)29-30(20)19-5-4-16(11-18(19)23)33(27,31)32/h3-14H,1-2H3,(H,30,32);3-13H,1-2H3,(H2,27,31,32);2*2-12H,1H3,(H2,27,31,32)
InChIKeyAOLGOMSLVCPGIV-UHFFFAOYSA-N
MW1925.90 g/mol
LogP19.07
Rot. Bonds17

About 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide

3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide (PubChem CID 157179879) has the molecular formula C91H70F14N16O9S4 and a molecular weight of 1925.90 g/mol. Its IUPAC name is 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide.

Molecular Properties

Compound Name3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
PubChem CID157179879
Molecular FormulaC91H70F14N16O9S4
Molecular Weight1925.90 g/mol
Exact Mass1924.42
IUPAC Name3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C)cc1.Cc1ccc(-c2ccncc2)cc1-c1c(C)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1c(F)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C24H19F3N4O3S.C23H19F3N4O2S.2C22H16F4N4O2S/c1-15-3-4-18(17-9-11-28-12-10-17)13-21(15)22-14-23(24(25,26)27)29-31(22)19-5-7-20(8-6-19)35(33,34)30-16(2)32;1-14-3-4-17(16-9-11-28-12-10-16)13-20(14)21-15(2)22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-15(14-8-10-28-11-9-14)12-18(13)20-19(23)21(22(24,25)26)29-30(20)16-4-6-17(7-5-16)33(27,31)32;1-13-2-3-15(14-6-8-28-9-7-14)10-17(13)20-12-21(22(24,25)26)29-30(20)19-5-4-16(11-18(19)23)33(27,31)32/h3-14H,1-2H3,(H,30,32);3-13H,1-2H3,(H2,27,31,32);2*2-12H,1H3,(H2,27,31,32)
InChIKeyAOLGOMSLVCPGIV-UHFFFAOYSA-N
XLogP19.07
TPSA366.56 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001925.90
LogP ≤ 519.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide with MolForge

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Related Compounds

Bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139199317
Bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);propan-2-one;bis(4-pyridin-4-ylpyridine)
CID 139199318
Bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);oxolane;bis(4-pyridin-4-ylpyridine)
CID 139199319
1,4-Dioxane;bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-pyridin-4-ylpyridine)
CID 139199320
bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);propan-2-one;bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
CID 139199321
1,4-dioxane;bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
CID 139199322
4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 157261286
4-[5-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyridin-3-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyrimidin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 157933484
4-[5-(5-methyl-2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 158053644
4-[5-[2-(dimethylamino)-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;2-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-fluoro-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[3-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 158063848
4-[5-[2-(methanesulfonamido)-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide;4-[5-[5-pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 159132189
4-[5-(2-Cyclopropyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-ethyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-propan-2-yl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(3-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 159661122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The IUPAC name of 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide (CID 157179879) is 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide.
What is the SMILES notation for 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The canonical SMILES for 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C)cc1.Cc1ccc(-c2ccncc2)cc1-c1c(C)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1c(F)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The InChIKey is AOLGOMSLVCPGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S.C23H19F3N4O2S.2C22H16F4N4O2S/c1-15-3-4-18(17-9-11-28-12-10-17)13-21(15)22-14-23(24(25,26)27)29-31(22)19-5-7-20(8-6-19)35(33,34)30-16(2)32;1-14-3-4-17(16-9-11-28-12-10-16)13-20(14)21-15(2)22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-15(14-8-10-28-11-9-14)12-18(13)20-19(23)21(22(24,25)26)29-30(20)16-4-6-17(7-5-16)33(27,31)32;1-13-2-3-15(14-6-8-28-9-7-14)10-17(13)20-12-21(22(24,25)26)29-30(20)19-5-4-16(11-18(19)23)33(27,31)32/h3-14H,1-2H3,(H,30,32);3-13H,1-2H3,(H2,27,31,32);2*2-12H,1H3,(H2,27,31,32).
What are the key properties of 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide has a molecular weight of 1925.90 g/mol, XLogP of 19.07, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 157179879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).