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

C30H25N5O5S2 — CID 10121438

IUPAC8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc1-2
InChIInChI=1S/C30H25N5O5S2/c31-30(36)28-26-17-9-21-6-10-22(34-42(39,40)25-13-7-20(8-14-25)19-4-2-1-3-5-19)18-27(21)29(26)35(33-28)23-11-15-24(16-12-23)41(32,37)38/h1-8,10-16,18,34H,9,17H2,(H2,31,36)(H2,32,37,38)
InChIKeyPOLWTSCMIHFWLZ-UHFFFAOYSA-N
MW599.69 g/mol
LogP3.85
Rot. Bonds7

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

8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10121438) has the molecular formula C30H25N5O5S2 and a molecular weight of 599.69 g/mol. Its IUPAC name is 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10121438
Molecular FormulaC30H25N5O5S2
Molecular Weight599.69 g/mol
Exact Mass599.13
IUPAC Name8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc1-2
InChIInChI=1S/C30H25N5O5S2/c31-30(36)28-26-17-9-21-6-10-22(34-42(39,40)25-13-7-20(8-14-25)19-4-2-1-3-5-19)18-27(21)29(26)35(33-28)23-11-15-24(16-12-23)41(32,37)38/h1-8,10-16,18,34H,9,17H2,(H2,31,36)(H2,32,37,38)
InChIKeyPOLWTSCMIHFWLZ-UHFFFAOYSA-N
XLogP3.85
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.69
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10121438) is 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc1-2.
What is the InChIKey of 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is POLWTSCMIHFWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O5S2/c31-30(36)28-26-17-9-21-6-10-22(34-42(39,40)25-13-7-20(8-14-25)19-4-2-1-3-5-19)18-27(21)29(26)35(33-28)23-11-15-24(16-12-23)41(32,37)38/h1-8,10-16,18,34H,9,17H2,(H2,31,36)(H2,32,37,38).
What are the key properties of 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 599.69 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-phenylphenyl)sulfonylamino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10121438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).