8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide

C24H25N5O3S — CID 10183226

IUPAC8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1
InChIInChI=1S/C24H25N5O3S/c1-3-13-28(14-4-2)33(31,32)19-10-8-18(9-11-19)29-23-20(22(27-29)24(26)30)12-6-16-5-7-17(25)15-21(16)23/h3-5,7-11,15H,1-2,6,12-14,25H2,(H2,26,30)
InChIKeyJLSLAKSFHMDTHR-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.68
Rot. Bonds8

About 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10183226) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10183226
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1
InChIInChI=1S/C24H25N5O3S/c1-3-13-28(14-4-2)33(31,32)19-10-8-18(9-11-19)29-23-20(22(27-29)24(26)30)12-6-16-5-7-17(25)15-21(16)23/h3-5,7-11,15H,1-2,6,12-14,25H2,(H2,26,30)
InChIKeyJLSLAKSFHMDTHR-UHFFFAOYSA-N
XLogP2.68
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
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
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
5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 162677419
8-[(2-Methoxyacetyl)amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10095529
8-(Ethylcarbamoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10115095
8-(Ethylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10116394

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10183226) is 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide is C=CCN(CC=C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(N)ccc2CC3)cc1.
What is the InChIKey of 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is JLSLAKSFHMDTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-3-13-28(14-4-2)33(31,32)19-10-8-18(9-11-19)29-23-20(22(27-29)24(26)30)12-6-16-5-7-17(25)15-21(16)23/h3-5,7-11,15H,1-2,6,12-14,25H2,(H2,26,30).
What are the key properties of 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10183226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).