5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide

C43H32F6N8O5S2 — CID 158141732

IUPAC5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc2)cc1.NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C23H17F3N4O3S.C20H15F3N4O2S/c24-23(25,26)21-13-20(30(29-21)18-9-11-19(12-10-18)34(28,32)33)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(27)31;21-20(22,23)19-12-18(17-7-3-5-13-4-1-2-6-16(13)17)27(25-19)15-10-8-14(9-11-15)26-30(24,28)29/h1-13H,(H2,27,31)(H2,28,32,33);1-12,26H,(H2,24,28,29)
InChIKeyFUAIEGYRKJCOJQ-UHFFFAOYSA-N
MW918.90 g/mol
LogP8.30
Rot. Bonds9

About 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide

5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide (PubChem CID 158141732) has the molecular formula C43H32F6N8O5S2 and a molecular weight of 918.90 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
PubChem CID158141732
Molecular FormulaC43H32F6N8O5S2
Molecular Weight918.90 g/mol
Exact Mass918.18
IUPAC Name5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc2)cc1.NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C23H17F3N4O3S.C20H15F3N4O2S/c24-23(25,26)21-13-20(30(29-21)18-9-11-19(12-10-18)34(28,32)33)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(27)31;21-20(22,23)19-12-18(17-7-3-5-13-4-1-2-6-16(13)17)27(25-19)15-10-8-14(9-11-15)26-30(24,28)29/h1-13H,(H2,27,31)(H2,28,32,33);1-12,26H,(H2,24,28,29)
InChIKeyFUAIEGYRKJCOJQ-UHFFFAOYSA-N
XLogP8.30
TPSA211.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.90
LogP ≤ 58.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

8-[[3,5-Bis(trifluoromethyl)phenyl]sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10233373
1-(4-Sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291524
1-(4-Sulfamoylphenyl)-8-[[4-(trifluoromethyl)benzoyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291664
1-[4-[4-[4-[5-Phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 56673861
8-[[3,5-Bis(trifluoromethyl)phenyl]sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
CID 10122407
1-(4-Sulfamoylphenyl)-8-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzo[g]indazole-3-carboxamide
CID 10145114
1-(4-Sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10166234
1-(4-Sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10280915
N-[4-[5-cyclohexa-1,5-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-4-phenylbenzamide
CID 68879662
4-benzoyl-N-[4-[5-cyclohexa-1,5-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzamide
CID 68880136
4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)benzamide
CID 87183662
N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-sulfamoylbenzamide
CID 87183816

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The IUPAC name of 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide (CID 158141732) is 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide is NC(=O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc2)cc1.NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The InChIKey is FUAIEGYRKJCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S.C20H15F3N4O2S/c24-23(25,26)21-13-20(30(29-21)18-9-11-19(12-10-18)34(28,32)33)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(27)31;21-20(22,23)19-12-18(17-7-3-5-13-4-1-2-6-16(13)17)27(25-19)15-10-8-14(9-11-15)26-30(24,28)29/h1-13H,(H2,27,31)(H2,28,32,33);1-12,26H,(H2,24,28,29).
What are the key properties of 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide has a molecular weight of 918.90 g/mol, XLogP of 8.30, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole;4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 158141732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).