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

C23H24N4O4S — CID 22291478

IUPAC8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCC(=O)CCc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NS(C)(=O)=O)ccc2CC3)cc1
InChIInChI=1S/C23H24N4O4S/c1-14(28)3-4-15-5-10-18(11-6-15)27-22-19(21(25-27)23(24)29)12-8-16-7-9-17(13-20(16)22)26-32(2,30)31/h5-7,9-11,13,26H,3-4,8,12H2,1-2H3,(H2,24,29)
InChIKeyHWICIDIACACKER-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.63
Rot. Bonds7

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

8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291478) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291478
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCC(=O)CCc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NS(C)(=O)=O)ccc2CC3)cc1
InChIInChI=1S/C23H24N4O4S/c1-14(28)3-4-15-5-10-18(11-6-15)27-22-19(21(25-27)23(24)29)12-8-16-7-9-17(13-20(16)22)26-32(2,30)31/h5-7,9-11,13,26H,3-4,8,12H2,1-2H3,(H2,24,29)
InChIKeyHWICIDIACACKER-UHFFFAOYSA-N
XLogP2.63
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(methanesulfonamido)-1-[4-(3-oxobutyl)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

5-acetyl-1-(4-fluorophenyl)-8-[(methylsulfonyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3-carboxamide
CID 10160626
1-(3,4-Dimethylphenyl)-5-phenylpyrazole-3,4-dicarboxamide
CID 168283020
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
8-[(4-Phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10121438
8-(Pentanoylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10139903
8-(Propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10141150
1-(4-Sulfamoylphenyl)-8-(2,2,2-trifluoroethylsulfonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10143136
1-(4-Fluorophenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10157806
8-amino-1-{4-[(dimethylamino)sulfonyl]phenyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 10158540
8-(Propylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10163383

Frequently Asked Questions

What is the IUPAC name of 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291478) is 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide is CC(=O)CCc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NS(C)(=O)=O)ccc2CC3)cc1.
What is the InChIKey of 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is HWICIDIACACKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-14(28)3-4-15-5-10-18(11-6-15)27-22-19(21(25-27)23(24)29)12-8-16-7-9-17(13-20(16)22)26-32(2,30)31/h5-7,9-11,13,26H,3-4,8,12H2,1-2H3,(H2,24,29).
What are the key properties of 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methanesulfonamido)-1-[4-(3-oxobutyl)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).