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

C23H25N5O4S — CID 10139903

IUPAC8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCCCCC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C23H25N5O4S/c1-2-3-4-20(29)26-15-7-5-14-6-12-18-21(23(24)30)27-28(22(18)19(14)13-15)16-8-10-17(11-9-16)33(25,31)32/h5,7-11,13H,2-4,6,12H2,1H3,(H2,24,30)(H,26,29)(H2,25,31,32)
InChIKeyAGHMTPHOMJFCMI-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.51
Rot. Bonds7

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

8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10139903) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10139903
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCCCCC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C23H25N5O4S/c1-2-3-4-20(29)26-15-7-5-14-6-12-18-21(23(24)30)27-28(22(18)19(14)13-15)16-8-10-17(11-9-16)33(25,31)32/h5,7-11,13H,2-4,6,12H2,1H3,(H2,24,30)(H,26,29)(H2,25,31,32)
InChIKeyAGHMTPHOMJFCMI-UHFFFAOYSA-N
XLogP2.51
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-(pentanoylamino)-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-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10139903) is 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is CCCCC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2.
What is the InChIKey of 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is AGHMTPHOMJFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-2-3-4-20(29)26-15-7-5-14-6-12-18-21(23(24)30)27-28(22(18)19(14)13-15)16-8-10-17(11-9-16)33(25,31)32/h5,7-11,13H,2-4,6,12H2,1H3,(H2,24,30)(H,26,29)(H2,25,31,32).
What are the key properties of 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10139903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).