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

C24H19Cl2N5O5S2 — CID 10167430

IUPAC8-[(3,4-dichlorophenyl)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)c(Cl)c3)cc1-2
InChIInChI=1S/C24H19Cl2N5O5S2/c25-20-10-8-17(12-21(20)26)38(35,36)30-14-3-1-13-2-9-18-22(24(27)32)29-31(23(18)19(13)11-14)15-4-6-16(7-5-15)37(28,33)34/h1,3-8,10-12,30H,2,9H2,(H2,27,32)(H2,28,33,34)
InChIKeyXSSKRRBMJIKXHR-UHFFFAOYSA-N
MW592.49 g/mol
LogP3.49
Rot. Bonds6

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

8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10167430) has the molecular formula C24H19Cl2N5O5S2 and a molecular weight of 592.49 g/mol. Its IUPAC name is 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10167430
Molecular FormulaC24H19Cl2N5O5S2
Molecular Weight592.49 g/mol
Exact Mass591.02
IUPAC Name8-[(3,4-dichlorophenyl)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)c(Cl)c3)cc1-2
InChIInChI=1S/C24H19Cl2N5O5S2/c25-20-10-8-17(12-21(20)26)38(35,36)30-14-3-1-13-2-9-18-22(24(27)32)29-31(23(18)19(13)11-14)15-4-6-16(7-5-15)37(28,33)34/h1,3-8,10-12,30H,2,9H2,(H2,27,32)(H2,28,33,34)
InChIKeyXSSKRRBMJIKXHR-UHFFFAOYSA-N
XLogP3.49
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.49
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10167430) is 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(3,4-dichlorophenyl)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)c(Cl)c3)cc1-2.
What is the InChIKey of 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is XSSKRRBMJIKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O5S2/c25-20-10-8-17(12-21(20)26)38(35,36)30-14-3-1-13-2-9-18-22(24(27)32)29-31(23(18)19(13)11-14)15-4-6-16(7-5-15)37(28,33)34/h1,3-8,10-12,30H,2,9H2,(H2,27,32)(H2,28,33,34).
What are the key properties of 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 592.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10167430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).