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

C21H22N6O4S — CID 10115095

IUPAC8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCCNC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C21H22N6O4S/c1-2-24-21(29)25-13-5-3-12-4-10-16-18(20(22)28)26-27(19(16)17(12)11-13)14-6-8-15(9-7-14)32(23,30)31/h3,5-9,11H,2,4,10H2,1H3,(H2,22,28)(H2,23,30,31)(H2,24,25,29)
InChIKeyJNWPTMXBJHBRDS-UHFFFAOYSA-N
MW454.51 g/mol
LogP1.53
Rot. Bonds5

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

8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10115095) has the molecular formula C21H22N6O4S and a molecular weight of 454.51 g/mol. Its IUPAC name is 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10115095
Molecular FormulaC21H22N6O4S
Molecular Weight454.51 g/mol
Exact Mass454.14
IUPAC Name8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCCNC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C21H22N6O4S/c1-2-24-21(29)25-13-5-3-12-4-10-16-18(20(22)28)26-27(19(16)17(12)11-13)14-6-8-15(9-7-14)32(23,30)31/h3,5-9,11H,2,4,10H2,1H3,(H2,22,28)(H2,23,30,31)(H2,24,25,29)
InChIKeyJNWPTMXBJHBRDS-UHFFFAOYSA-N
XLogP1.53
TPSA162.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 8-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10115095) is 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is CCNC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2.
What is the InChIKey of 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is JNWPTMXBJHBRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4S/c1-2-24-21(29)25-13-5-3-12-4-10-16-18(20(22)28)26-27(19(16)17(12)11-13)14-6-8-15(9-7-14)32(23,30)31/h3,5-9,11H,2,4,10H2,1H3,(H2,22,28)(H2,23,30,31)(H2,24,25,29).
What are the key properties of 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10115095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).