8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C21H23N5O5S2 — CID 10141150

IUPAC8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCC(C)S(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C21H23N5O5S2/c1-12(2)33(30,31)25-14-5-3-13-4-10-17-19(21(22)27)24-26(20(17)18(13)11-14)15-6-8-16(9-7-15)32(23,28)29/h3,5-9,11-12,25H,4,10H2,1-2H3,(H2,22,27)(H2,23,28,29)
InChIKeyDGQHEZGSJPRRBG-UHFFFAOYSA-N
MW489.58 g/mol
LogP1.53
Rot. Bonds6

About 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10141150) has the molecular formula C21H23N5O5S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10141150
Molecular FormulaC21H23N5O5S2
Molecular Weight489.58 g/mol
Exact Mass489.11
IUPAC Name8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCC(C)S(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2
InChIInChI=1S/C21H23N5O5S2/c1-12(2)33(30,31)25-14-5-3-13-4-10-17-19(21(22)27)24-26(20(17)18(13)11-14)15-6-8-16(9-7-15)32(23,28)29/h3,5-9,11-12,25H,4,10H2,1-2H3,(H2,22,27)(H2,23,28,29)
InChIKeyDGQHEZGSJPRRBG-UHFFFAOYSA-N
XLogP1.53
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-carbamoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11049038
5-Methyl-2-naphthalen-2-yl-2H-pyrazole-3-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9848091
2-(3-Carbamoyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide
CID 21366513
1-(3,4-dimethylphenyl)-N-[4-(methanesulfonamido)phenyl]-4-methyl-5,5-dioxo-pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
CID 86578963
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
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

Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10141150) is 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is CC(C)S(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2.
What is the InChIKey of 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is DGQHEZGSJPRRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S2/c1-12(2)33(30,31)25-14-5-3-13-4-10-17-19(21(22)27)24-26(20(17)18(13)11-14)15-6-8-16(9-7-15)32(23,28)29/h3,5-9,11-12,25H,4,10H2,1-2H3,(H2,22,27)(H2,23,28,29).
What are the key properties of 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10141150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).