1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide

C26H18F3N5O4S — CID 10166234

IUPAC1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C26H18F3N5O4S/c27-26(28,29)16-3-1-2-15(12-16)25(36)32-17-6-4-14-5-11-20-22(24(30)35)33-34(23(20)21(14)13-17)18-7-9-19(10-8-18)39(31,37)38/h1-13H,(H2,30,35)(H,32,36)(H2,31,37,38)
InChIKeyZHARIULECHTJBG-UHFFFAOYSA-N
MW553.52 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide

1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide (PubChem CID 10166234) has the molecular formula C26H18F3N5O4S and a molecular weight of 553.52 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
PubChem CID10166234
Molecular FormulaC26H18F3N5O4S
Molecular Weight553.52 g/mol
Exact Mass553.10
IUPAC Name1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C26H18F3N5O4S/c27-26(28,29)16-3-1-2-15(12-16)25(36)32-17-6-4-14-5-11-20-22(24(30)35)33-34(23(20)21(14)13-17)18-7-9-19(10-8-18)39(31,37)38/h1-13H,(H2,30,35)(H,32,36)(H2,31,37,38)
InChIKeyZHARIULECHTJBG-UHFFFAOYSA-N
XLogP4.20
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.52
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 9827306
CID 9827306
CID 9848091
CID 9848091
CID 9871029
CID 9871029
CID 9892818
CID 9892818
CID 9936020
CID 9936020
CID 21366513
CID 21366513
CID 21366566
CID 21366566
CID 44290033
CID 44290033
CID 21366579
CID 21366579
CID 44290108
CID 44290108
CID 162677419
CID 162677419
CID 10095529
CID 10095529

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide (CID 10166234) is 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
The InChIKey is ZHARIULECHTJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O4S/c27-26(28,29)16-3-1-2-15(12-16)25(36)32-17-6-4-14-5-11-20-22(24(30)35)33-34(23(20)21(14)13-17)18-7-9-19(10-8-18)39(31,37)38/h1-13H,(H2,30,35)(H,32,36)(H2,31,37,38).
What are the key properties of 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide has a molecular weight of 553.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-8-[[3-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10166234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).