8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide

C20H21N5O3S — CID 10158540

IUPAC8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1
InChIInChI=1S/C20H21N5O3S/c1-24(2)29(27,28)15-8-6-14(7-9-15)25-19-16(18(23-25)20(22)26)10-4-12-3-5-13(21)11-17(12)19/h3,5-9,11H,4,10,21H2,1-2H3,(H2,22,26)
InChIKeyJOHKXAGVDNUUCF-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.57
Rot. Bonds4

About 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10158540) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10158540
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1
InChIInChI=1S/C20H21N5O3S/c1-24(2)29(27,28)15-8-6-14(7-9-15)25-19-16(18(23-25)20(22)26)10-4-12-3-5-13(21)11-17(12)19/h3,5-9,11H,4,10,21H2,1-2H3,(H2,22,26)
InChIKeyJOHKXAGVDNUUCF-UHFFFAOYSA-N
XLogP1.57
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-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

Related Compounds

1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10769476
1-(3-carbamoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11049038
2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 9827306
5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9848091
2-(3-Aminomethyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9871029
2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide
CID 21366513
Tetrahydro-benzodipyrazole deriv. 7c
CID 135403020
2-(3-carbamimidoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 44290033
2-[3-(N,N-dimethylcarbamimidoyl)naphthalen-2-yl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366579
1-(3,4-dimethylphenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
CID 86578963
N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 162643706
N-(1-adamantyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 162668978

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10158540) is 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide is CN(C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1.
What is the InChIKey of 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is JOHKXAGVDNUUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-24(2)29(27,28)15-8-6-14(7-9-15)25-19-16(18(23-25)20(22)26)10-4-12-3-5-13(21)11-17(12)19/h3,5-9,11H,4,10,21H2,1-2H3,(H2,22,26).
What are the key properties of 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-[4-(dimethylsulfamoyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).