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

C25H23N5O6S2 — CID 10187615

IUPAC8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)CC3)cc1
InChIInChI=1S/C25H23N5O6S2/c1-36-18-7-11-20(12-8-18)38(34,35)29-16-4-2-15-3-13-21-23(25(26)31)28-30(24(21)22(15)14-16)17-5-9-19(10-6-17)37(27,32)33/h2,4-12,14,29H,3,13H2,1H3,(H2,26,31)(H2,27,32,33)
InChIKeyLOSYGMQUZKIPML-UHFFFAOYSA-N
MW553.62 g/mol
LogP2.19
Rot. Bonds7

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

8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10187615) has the molecular formula C25H23N5O6S2 and a molecular weight of 553.62 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10187615
Molecular FormulaC25H23N5O6S2
Molecular Weight553.62 g/mol
Exact Mass553.11
IUPAC Name8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)CC3)cc1
InChIInChI=1S/C25H23N5O6S2/c1-36-18-7-11-20(12-8-18)38(34,35)29-16-4-2-15-3-13-21-23(25(26)31)28-30(24(21)22(15)14-16)17-5-9-19(10-6-17)37(27,32)33/h2,4-12,14,29H,3,13H2,1H3,(H2,26,31)(H2,27,32,33)
InChIKeyLOSYGMQUZKIPML-UHFFFAOYSA-N
XLogP2.19
TPSA176.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.62
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[(4-methoxyphenyl)sulfonylamino]-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

Related Compounds

8-[(4-methoxybenzoyl)amino]-1-(4-methylsulfonylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291542
8-[[(2R)-2-aminopropanoyl]amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10297872
1-(4-sulfamoylphenyl)-8-(thiophene-2-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291503
sodium;8-[[(2R)-2-aminopropanoyl]amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;8-[[(2S)-2-aminopropanoyl]amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;bis(8-amino-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide);tert-butyl N-[(2R)-1-[[3-carbamoyl-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazol-8-yl]amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[3-carbamoyl-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazol-8-yl]amino]-1-oxopropan-2-yl]carbamate;methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydroxide;tetrahydrochloride
CID 162043715
1-(4-aminosulfanylphenyl)-8-formamido-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828755
8-[[(2E,4Z)-2,7-dimethylocta-2,4,6-trienoyl]amino]-1-(4-methylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142223066
8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828740
8-[(5-azido-2-nitrobenzoyl)amino]-1-(4-methylsulfonylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291636
8-[(2-chlorobenzoyl)amino]-1-(4-pyrrol-1-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291802
8-amino-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828934
8-amino-1-(4-methylsulfonylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-methyl-1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole
CID 157411105
8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane
CID 142828680

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10187615) is 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)CC3)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is LOSYGMQUZKIPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O6S2/c1-36-18-7-11-20(12-8-18)38(34,35)29-16-4-2-15-3-13-21-23(25(26)31)28-30(24(21)22(15)14-16)17-5-9-19(10-6-17)37(27,32)33/h2,4-12,14,29H,3,13H2,1H3,(H2,26,31)(H2,27,32,33).
What are the key properties of 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 553.62 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10187615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).