8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide

C24H18ClN5O5S2 — CID 10120247

IUPAC8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NS(=O)(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C24H18ClN5O5S2/c25-20-3-1-2-4-21(20)37(34,35)29-15-7-5-14-6-12-18-22(24(26)31)28-30(23(18)19(14)13-15)16-8-10-17(11-9-16)36(27,32)33/h1-13,29H,(H2,26,31)(H2,27,32,33)
InChIKeyAMMVEXZQWZFDSY-UHFFFAOYSA-N
MW556.03 g/mol
LogP3.38
Rot. Bonds6

About 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide

8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide (PubChem CID 10120247) has the molecular formula C24H18ClN5O5S2 and a molecular weight of 556.03 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
PubChem CID10120247
Molecular FormulaC24H18ClN5O5S2
Molecular Weight556.03 g/mol
Exact Mass555.04
IUPAC Name8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NS(=O)(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C24H18ClN5O5S2/c25-20-3-1-2-4-21(20)37(34,35)29-15-7-5-14-6-12-18-22(24(26)31)28-30(23(18)19(14)13-15)16-8-10-17(11-9-16)36(27,32)33/h1-13,29H,(H2,26,31)(H2,27,32,33)
InChIKeyAMMVEXZQWZFDSY-UHFFFAOYSA-N
XLogP3.38
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.03
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
8-(Cyclohexanecarbonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10163636
8-[(4-Chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10166390
8-[(3,4-Dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10167430
8-[(2,4-Dichlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10167431
8-Amino-1-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10183226

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide (CID 10120247) is 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1ccc(NS(=O)(=O)c3ccccc3Cl)cc12.
What is the InChIKey of 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
The InChIKey is AMMVEXZQWZFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O5S2/c25-20-3-1-2-4-21(20)37(34,35)29-15-7-5-14-6-12-18-22(24(26)31)28-30(23(18)19(14)13-15)16-8-10-17(11-9-16)36(27,32)33/h1-13,29H,(H2,26,31)(H2,27,32,33).
What are the key properties of 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide has a molecular weight of 556.03 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10120247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).