1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide

C26H18F3N5O4S — CID 10280915

IUPAC1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NC(=O)c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C26H18F3N5O4S/c27-26(28,29)21-4-2-1-3-18(21)25(36)32-15-7-5-14-6-12-19-22(24(30)35)33-34(23(19)20(14)13-15)16-8-10-17(11-9-16)39(31,37)38/h1-13H,(H2,30,35)(H,32,36)(H2,31,37,38)
InChIKeyOWBDGHXIGRTSDQ-UHFFFAOYSA-N
MW553.52 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide

1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide (PubChem CID 10280915) has the molecular formula C26H18F3N5O4S and a molecular weight of 553.52 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
PubChem CID10280915
Molecular FormulaC26H18F3N5O4S
Molecular Weight553.52 g/mol
Exact Mass553.10
IUPAC Name1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NC(=O)c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C26H18F3N5O4S/c27-26(28,29)21-4-2-1-3-18(21)25(36)32-15-7-5-14-6-12-19-22(24(30)35)33-34(23(19)20(14)13-15)16-8-10-17(11-9-16)39(31,37)38/h1-13H,(H2,30,35)(H,32,36)(H2,31,37,38)
InChIKeyOWBDGHXIGRTSDQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide (CID 10280915) is 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NC(=O)c3ccccc3C(F)(F)F)cc12.
What is the InChIKey of 1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
The InChIKey is OWBDGHXIGRTSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O4S/c27-26(28,29)21-4-2-1-3-18(21)25(36)32-15-7-5-14-6-12-19-22(24(30)35)33-34(23(19)20(14)13-15)16-8-10-17(11-9-16)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-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide?
1-(4-sulfamoylphenyl)-8-[[2-(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-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10280915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).