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

C84H65F14N17O8S4 — CID 158063848

IUPAC4-[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
SMILESCN(C)c1ccc(C2=CC=NC2)cc1-c1cc(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)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(C3=CC=NC3)ccc2F)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(C3=CC=NC3)c2)cc1
InChIInChI=1S/C22H16F4N4O2S.C22H20F3N5O2S.C20H14F4N4O2S.C20H15F3N4O2S/c1-13-2-3-15(14-6-8-28-9-7-14)10-17(13)19-12-21(22(24,25)26)29-30(19)16-4-5-20(18(23)11-16)33(27,31)32;1-29(2)19-8-3-14(15-9-10-27-13-15)11-18(19)20-12-21(22(23,24)25)28-30(20)16-4-6-17(7-5-16)33(26,31)32;21-17-6-1-12(13-7-8-26-11-13)9-16(17)18-10-19(20(22,23)24)27-28(18)14-2-4-15(5-3-14)31(25,29)30;21-20(22,23)19-11-18(14-3-1-2-13(10-14)15-8-9-25-12-15)27(26-19)16-4-6-17(7-5-16)30(24,28)29/h2-12H,1H3,(H2,27,31,32);3-12H,13H2,1-2H3,(H2,26,31,32);1-10H,11H2,(H2,25,29,30);1-11H,12H2,(H2,24,28,29)
InChIKeyFKZFVEZJGUMJBN-UHFFFAOYSA-N
MW1834.79 g/mol
LogP15.94
Rot. Bonds17

About 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

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 (PubChem CID 158063848) has the molecular formula C84H65F14N17O8S4 and a molecular weight of 1834.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158063848
Molecular FormulaC84H65F14N17O8S4
Molecular Weight1834.79 g/mol
Exact Mass1833.39
IUPAC Name4-[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
SMILESCN(C)c1ccc(C2=CC=NC2)cc1-c1cc(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)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(C3=CC=NC3)ccc2F)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(C3=CC=NC3)c2)cc1
InChIInChI=1S/C22H16F4N4O2S.C22H20F3N5O2S.C20H14F4N4O2S.C20H15F3N4O2S/c1-13-2-3-15(14-6-8-28-9-7-14)10-17(13)19-12-21(22(24,25)26)29-30(19)16-4-5-20(18(23)11-16)33(27,31)32;1-29(2)19-8-3-14(15-9-10-27-13-15)11-18(19)20-12-21(22(23,24)25)28-30(20)16-4-6-17(7-5-16)33(26,31)32;21-17-6-1-12(13-7-8-26-11-13)9-16(17)18-10-19(20(22,23)24)27-28(18)14-2-4-15(5-3-14)31(25,29)30;21-20(22,23)19-11-18(14-3-1-2-13(10-14)15-8-9-25-12-15)27(26-19)16-4-6-17(7-5-16)30(24,28)29/h2-12H,1H3,(H2,27,31,32);3-12H,13H2,1-2H3,(H2,26,31,32);1-10H,11H2,(H2,25,29,30);1-11H,12H2,(H2,24,28,29)
InChIKeyFKZFVEZJGUMJBN-UHFFFAOYSA-N
XLogP15.94
TPSA365.13 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.79
LogP ≤ 515.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 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 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);oxolane;bis(4-pyridin-4-ylpyridine)
CID 139199319
4-[5-(3-Fluoro-2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324961
4-[5-[2-(Dimethylamino)-4-fluoro-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324962
4-[4-Fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324990
4-[5-[5-(2-Fluoropyridin-4-yl)-2-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78325036
3-Fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78325074
2-Fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78325075
4-[5-[2-(Dimethylamino)-4-methyl-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 118654642
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
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
CID 157251156
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc(C2=CC=NC2)cc1-c1cc(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)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(C3=CC=NC3)ccc2F)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(C3=CC=NC3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is FKZFVEZJGUMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O2S.C22H20F3N5O2S.C20H14F4N4O2S.C20H15F3N4O2S/c1-13-2-3-15(14-6-8-28-9-7-14)10-17(13)19-12-21(22(24,25)26)29-30(19)16-4-5-20(18(23)11-16)33(27,31)32;1-29(2)19-8-3-14(15-9-10-27-13-15)11-18(19)20-12-21(22(23,24)25)28-30(20)16-4-6-17(7-5-16)33(26,31)32;21-17-6-1-12(13-7-8-26-11-13)9-16(17)18-10-19(20(22,23)24)27-28(18)14-2-4-15(5-3-14)31(25,29)30;21-20(22,23)19-11-18(14-3-1-2-13(10-14)15-8-9-25-12-15)27(26-19)16-4-6-17(7-5-16)30(24,28)29/h2-12H,1H3,(H2,27,31,32);3-12H,13H2,1-2H3,(H2,26,31,32);1-10H,11H2,(H2,25,29,30);1-11H,12H2,(H2,24,28,29).
What are the key properties of 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?
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 has a molecular weight of 1834.79 g/mol, XLogP of 15.94, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158063848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).