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

C21H23N5O5S2 — CID 10163383

IUPAC8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C21H23N5O5S2/c1-2-11-32(28,29)25-14-5-3-13-4-10-17-19(21(22)27)24-26(20(17)18(13)12-14)15-6-8-16(9-7-15)33(23,30)31/h3,5-9,12,25H,2,4,10-11H2,1H3,(H2,22,27)(H2,23,30,31)
InChIKeyGXGOUADSUHQJRO-UHFFFAOYSA-N
MW489.58 g/mol
LogP1.54
Rot. Bonds7

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

8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10163383) has the molecular formula C21H23N5O5S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10163383
Molecular FormulaC21H23N5O5S2
Molecular Weight489.58 g/mol
Exact Mass489.11
IUPAC Name8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C21H23N5O5S2/c1-2-11-32(28,29)25-14-5-3-13-4-10-17-19(21(22)27)24-26(20(17)18(13)12-14)15-6-8-16(9-7-15)33(23,30)31/h3,5-9,12,25H,2,4,10-11H2,1H3,(H2,22,27)(H2,23,30,31)
InChIKeyGXGOUADSUHQJRO-UHFFFAOYSA-N
XLogP1.54
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10163383) is 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is CCCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2.
What is the InChIKey of 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is GXGOUADSUHQJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S2/c1-2-11-32(28,29)25-14-5-3-13-4-10-17-19(21(22)27)24-26(20(17)18(13)12-14)15-6-8-16(9-7-15)33(23,30)31/h3,5-9,12,25H,2,4,10-11H2,1H3,(H2,22,27)(H2,23,30,31).
What are the key properties of 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10163383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).