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

C89H66F15N19O12S5 — CID 159132189

IUPAC4-[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
SMILESCC(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.CS(=O)(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NC(=O)c1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C23H18F3N5O3S.C22H14F6N4O2S.C22H18F3N5O4S2.C22H16F3N5O3S/c1-14(32)29-20-7-2-16(15-8-10-28-11-9-15)12-19(20)21-13-22(23(24,25)26)30-31(21)17-3-5-18(6-4-17)35(27,33)34;23-21(24,25)18-6-1-14(13-7-9-30-10-8-13)11-17(18)19-12-20(22(26,27)28)31-32(19)15-2-4-16(5-3-15)35(29,33)34;1-35(31,32)29-19-7-2-15(14-8-10-27-11-9-14)12-18(19)20-13-21(22(23,24)25)28-30(20)16-3-5-17(6-4-16)36(26,33)34;23-22(24,25)20-12-19(30(29-20)15-2-4-16(5-3-15)34(27,32)33)18-11-14(1-6-17(18)21(26)31)13-7-9-28-10-8-13/h2-13H,1H3,(H,29,32)(H2,27,33,34);1-12H,(H2,29,33,34);2-13,29H,1H3,(H2,26,33,34);1-12H,(H2,26,31)(H2,27,32,33)
InChIKeyKHAPEEGWRBLFNN-UHFFFAOYSA-N
MW2038.93 g/mol
LogP16.52
Rot. Bonds20

About 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

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 (PubChem CID 159132189) has the molecular formula C89H66F15N19O12S5 and a molecular weight of 2038.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159132189
Molecular FormulaC89H66F15N19O12S5
Molecular Weight2038.93 g/mol
Exact Mass2037.35
IUPAC Name4-[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
SMILESCC(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.CS(=O)(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NC(=O)c1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C23H18F3N5O3S.C22H14F6N4O2S.C22H18F3N5O4S2.C22H16F3N5O3S/c1-14(32)29-20-7-2-16(15-8-10-28-11-9-15)12-19(20)21-13-22(23(24,25)26)30-31(21)17-3-5-18(6-4-17)35(27,33)34;23-21(24,25)18-6-1-14(13-7-9-30-10-8-13)11-17(18)19-12-20(22(26,27)28)31-32(19)15-2-4-16(5-3-15)35(29,33)34;1-35(31,32)29-19-7-2-15(14-8-10-27-11-9-14)12-18(19)20-13-21(22(23,24)25)28-30(20)16-3-5-17(6-4-16)36(26,33)34;23-22(24,25)20-12-19(30(29-20)15-2-4-16(5-3-15)34(27,32)33)18-11-14(1-6-17(18)21(26)31)13-7-9-28-10-8-13/h2-13H,1H3,(H,29,32)(H2,27,33,34);1-12H,(H2,29,33,34);2-13,29H,1H3,(H2,26,33,34);1-12H,(H2,26,31)(H2,27,32,33)
InChIKeyKHAPEEGWRBLFNN-UHFFFAOYSA-N
XLogP16.52
TPSA481.84 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002038.93
LogP ≤ 516.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.CS(=O)(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NC(=O)c1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 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?
The InChIKey is KHAPEEGWRBLFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3S.C22H14F6N4O2S.C22H18F3N5O4S2.C22H16F3N5O3S/c1-14(32)29-20-7-2-16(15-8-10-28-11-9-15)12-19(20)21-13-22(23(24,25)26)30-31(21)17-3-5-18(6-4-17)35(27,33)34;23-21(24,25)18-6-1-14(13-7-9-30-10-8-13)11-17(18)19-12-20(22(26,27)28)31-32(19)15-2-4-16(5-3-15)35(29,33)34;1-35(31,32)29-19-7-2-15(14-8-10-27-11-9-14)12-18(19)20-13-21(22(23,24)25)28-30(20)16-3-5-17(6-4-16)36(26,33)34;23-22(24,25)20-12-19(30(29-20)15-2-4-16(5-3-15)34(27,32)33)18-11-14(1-6-17(18)21(26)31)13-7-9-28-10-8-13/h2-13H,1H3,(H,29,32)(H2,27,33,34);1-12H,(H2,29,33,34);2-13,29H,1H3,(H2,26,33,34);1-12H,(H2,26,31)(H2,27,32,33).
What are the key properties of 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?
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 has a molecular weight of 2038.93 g/mol, XLogP of 16.52, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159132189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).