8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide

C26H21N5O4S — CID 10141700

IUPAC8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3ccc4c(C(N)=O)nn(-c5ccc(S(N)(=O)=O)cc5)c4c3c2)c1
InChIInChI=1S/C26H21N5O4S/c1-15-3-2-4-17(13-15)26(33)29-18-7-5-16-6-12-21-23(25(27)32)30-31(24(21)22(16)14-18)19-8-10-20(11-9-19)36(28,34)35/h2-14H,1H3,(H2,27,32)(H,29,33)(H2,28,34,35)
InChIKeyRVNAKHRUZLIOEG-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.49
Rot. Bonds5

About 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide

8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide (PubChem CID 10141700) has the molecular formula C26H21N5O4S and a molecular weight of 499.55 g/mol. Its IUPAC name is 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
PubChem CID10141700
Molecular FormulaC26H21N5O4S
Molecular Weight499.55 g/mol
Exact Mass499.13
IUPAC Name8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3ccc4c(C(N)=O)nn(-c5ccc(S(N)(=O)=O)cc5)c4c3c2)c1
InChIInChI=1S/C26H21N5O4S/c1-15-3-2-4-17(13-15)26(33)29-18-7-5-16-6-12-21-23(25(27)32)30-31(24(21)22(16)14-18)19-8-10-20(11-9-19)36(28,34)35/h2-14H,1H3,(H2,27,32)(H,29,33)(H2,28,34,35)
InChIKeyRVNAKHRUZLIOEG-UHFFFAOYSA-N
XLogP3.49
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10280915
1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethoxy)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10166785
8-[(2-chlorophenyl)sulfonylamino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide
CID 10120247
1-(4-methylsulfonylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10280883
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
2-methyl-4-[(3-methylbenzoyl)amino]benzamide
CID 126612438
1-(4-sulfamoylphenyl)-8-(thiophene-2-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291503
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
CID 9035038
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide (CID 10141700) is 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide is Cc1cccc(C(=O)Nc2ccc3ccc4c(C(N)=O)nn(-c5ccc(S(N)(=O)=O)cc5)c4c3c2)c1.
What is the InChIKey of 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
The InChIKey is RVNAKHRUZLIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4S/c1-15-3-2-4-17(13-15)26(33)29-18-7-5-16-6-12-21-23(25(27)32)30-31(24(21)22(16)14-18)19-8-10-20(11-9-19)36(28,34)35/h2-14H,1H3,(H2,27,32)(H,29,33)(H2,28,34,35).
What are the key properties of 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide?
8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylbenzoyl)amino]-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10141700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).