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'}

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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).