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

C83H71F15N14O8S4 — CID 158053644

IUPAC4-[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
SMILESCC(C)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C(C)C)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(C2=CC=NC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H17F3N4O2S.C21H17F3N4O2S.C20H17F6N3O2S.C20H20F3N3O2S/c1-14-2-3-16(15-8-10-27-11-9-15)12-19(14)20-13-21(22(23,24)25)28-29(20)17-4-6-18(7-5-17)32(26,30)31;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-11(2)12-3-8-16(19(21,22)23)15(9-12)17-10-18(20(24,25)26)28-29(17)13-4-6-14(7-5-13)32(27,30)31;1-12(2)16-9-4-13(3)10-17(16)18-11-19(20(21,22)23)25-26(18)14-5-7-15(8-6-14)29(24,27)28/h2-13H,1H3,(H2,26,30,31);2-11H,12H2,1H3,(H2,25,29,30);3-11H,1-2H3,(H2,27,30,31);4-12H,1-3H3,(H2,24,27,28)
InChIKeyFJTVVQQCEAROMK-UHFFFAOYSA-N
MW1805.81 g/mol
LogP18.54
Rot. Bonds16

About 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

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 (PubChem CID 158053644) has the molecular formula C83H71F15N14O8S4 and a molecular weight of 1805.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158053644
Molecular FormulaC83H71F15N14O8S4
Molecular Weight1805.81 g/mol
Exact Mass1804.42
IUPAC Name4-[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
SMILESCC(C)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C(C)C)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(C2=CC=NC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H17F3N4O2S.C21H17F3N4O2S.C20H17F6N3O2S.C20H20F3N3O2S/c1-14-2-3-16(15-8-10-27-11-9-15)12-19(14)20-13-21(22(23,24)25)28-29(20)17-4-6-18(7-5-17)32(26,30)31;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-11(2)12-3-8-16(19(21,22)23)15(9-12)17-10-18(20(24,25)26)28-29(17)13-4-6-14(7-5-13)32(27,30)31;1-12(2)16-9-4-13(3)10-17(16)18-11-19(20(21,22)23)25-26(18)14-5-7-15(8-6-14)29(24,27)28/h2-13H,1H3,(H2,26,30,31);2-11H,12H2,1H3,(H2,25,29,30);3-11H,1-2H3,(H2,27,30,31);4-12H,1-3H3,(H2,24,27,28)
InChIKeyFJTVVQQCEAROMK-UHFFFAOYSA-N
XLogP18.54
TPSA337.17 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.81
LogP ≤ 518.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 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 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-[(Dimethylamino)methyl]-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324946
4-[5-(3-Fluoro-2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324961
4-[5-[5-Pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324977
4-[4-Methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324979
4-[4-Fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324990
4-[5-(2-Methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78325004

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(C(F)(F)F)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C(C)C)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(C2=CC=NC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 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?
The InChIKey is FJTVVQQCEAROMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S.C21H17F3N4O2S.C20H17F6N3O2S.C20H20F3N3O2S/c1-14-2-3-16(15-8-10-27-11-9-15)12-19(14)20-13-21(22(23,24)25)28-29(20)17-4-6-18(7-5-17)32(26,30)31;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-11(2)12-3-8-16(19(21,22)23)15(9-12)17-10-18(20(24,25)26)28-29(17)13-4-6-14(7-5-13)32(27,30)31;1-12(2)16-9-4-13(3)10-17(16)18-11-19(20(21,22)23)25-26(18)14-5-7-15(8-6-14)29(24,27)28/h2-13H,1H3,(H2,26,30,31);2-11H,12H2,1H3,(H2,25,29,30);3-11H,1-2H3,(H2,27,30,31);4-12H,1-3H3,(H2,24,27,28).
What are the key properties of 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?
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 has a molecular weight of 1805.81 g/mol, XLogP of 18.54, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158053644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).