4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C87H69F12N17O9S4 — CID 159760888

About 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 159760888) has the molecular formula C87H69F12N17O9S4 and a molecular weight of 1852.86 g/mol. Its IUPAC name is 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• PubChem CID: 159760888
• Molecular Formula: C87H69F12N17O9S4
• Molecular Weight: 1852.86 g/mol
• Exact Mass: 1851.42
• IUPAC Name: 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• SMILES: Cc1cc(-c2ccc(C)c(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)ccn1.Cc1ccc(-c2cc[n+]([O-])cc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccn[nH]2)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(-c2ccnc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)cc1
• InChI: InChI=1S/C23H19F3N4O2S.C22H17F3N4O3S.C22H17F3N4O2S.C20H16F3N5O2S/c1-14-3-4-16(17-9-10-28-15(2)11-17)12-20(14)21-13-22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-14-2-3-16(15-8-10-28(30)11-9-15)12-19(14)20-13-21(22(23,24)25)27-29(20)17-4-6-18(7-5-17)33(26,31)32;1-14-2-4-15(5-3-14)16-10-11-27-19(12-16)20-13-21(22(23,24)25)28-29(20)17-6-8-18(9-7-17)32(26,30)31;1-12-2-7-15(17-8-9-25-26-17)16(10-12)18-11-19(20(21,22)23)27-28(18)13-3-5-14(6-4-13)31(24,29)30/h3-13H,1-2H3,(H2,27,31,32);2-13H,1H3,(H2,26,31,32);2-13H,1H3,(H2,26,30,31);2-11H,1H3,(H,25,26)(H2,24,29,30)
• InChIKey: NEWBCNSNKBMXAF-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 393.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.86
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The IUPAC name of 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 159760888) is 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(-c2ccc(C)c(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)ccn1.Cc1ccc(-c2cc[n+]([O-])cc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccn[nH]2)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(-c2ccnc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)cc1.

What is the InChIKey of 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The InChIKey is NEWBCNSNKBMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S.C22H17F3N4O3S.C22H17F3N4O2S.C20H16F3N5O2S/c1-14-3-4-16(17-9-10-28-15(2)11-17)12-20(14)21-13-22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-14-2-3-16(15-8-10-28(30)11-9-15)12-19(14)20-13-21(22(23,24)25)27-29(20)17-4-6-18(7-5-17)33(26,31)32;1-14-2-4-15(5-3-14)16-10-11-27-19(12-16)20-13-21(22(23,24)25)28-29(20)17-6-8-18(9-7-17)32(26,30)31;1-12-2-7-15(17-8-9-25-26-17)16(10-12)18-11-19(20(21,22)23)27-28(18)13-3-5-14(6-4-13)31(24,29)30/h3-13H,1-2H3,(H2,27,31,32);2-13H,1H3,(H2,26,31,32);2-13H,1H3,(H2,26,30,31);2-11H,1H3,(H,25,26)(H2,24,29,30).

What are the key properties of 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 1852.86 g/mol, XLogP of 17.18, 16 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-oxidopyridin-1-ium-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(4-methylphenyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 159760888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).