8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C24H20ClN5O5S2 — CID 10166390

IUPAC8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1-2
InChIInChI=1S/C24H20ClN5O5S2/c25-15-3-8-19(9-4-15)37(34,35)29-16-5-1-14-2-12-20-22(24(26)31)28-30(23(20)21(14)13-16)17-6-10-18(11-7-17)36(27,32)33/h1,3-11,13,29H,2,12H2,(H2,26,31)(H2,27,32,33)
InChIKeyAMXXCHYXHWBJRY-UHFFFAOYSA-N
MW558.04 g/mol
LogP2.84
Rot. Bonds6

About 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10166390) has the molecular formula C24H20ClN5O5S2 and a molecular weight of 558.04 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10166390
Molecular FormulaC24H20ClN5O5S2
Molecular Weight558.04 g/mol
Exact Mass557.06
IUPAC Name8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1-2
InChIInChI=1S/C24H20ClN5O5S2/c25-15-3-8-19(9-4-15)37(34,35)29-16-5-1-14-2-12-20-22(24(26)31)28-30(23(20)21(14)13-16)17-6-10-18(11-7-17)36(27,32)33/h1,3-11,13,29H,2,12H2,(H2,26,31)(H2,27,32,33)
InChIKeyAMXXCHYXHWBJRY-UHFFFAOYSA-N
XLogP2.84
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.04
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10166390) is 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1-2.
What is the InChIKey of 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is AMXXCHYXHWBJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O5S2/c25-15-3-8-19(9-4-15)37(34,35)29-16-5-1-14-2-12-20-22(24(26)31)28-30(23(20)21(14)13-16)17-6-10-18(11-7-17)36(27,32)33/h1,3-11,13,29H,2,12H2,(H2,26,31)(H2,27,32,33).
What are the key properties of 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 558.04 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10166390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).