2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide

C12H12N2O4S — CID 19772331

IUPAC2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(c3c1CCCC3)NC(=O)C2=O
InChIInChI=1S/C12H12N2O4S/c13-19(17,18)9-5-8-10(14-12(16)11(8)15)7-4-2-1-3-6(7)9/h5H,1-4H2,(H2,13,17,18)(H,14,15,16)
InChIKeyBQGPHZPJTJPZLM-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.35
Rot. Bonds1

About 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide

2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide (PubChem CID 19772331) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
PubChem CID19772331
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(c3c1CCCC3)NC(=O)C2=O
InChIInChI=1S/C12H12N2O4S/c13-19(17,18)9-5-8-10(14-12(16)11(8)15)7-4-2-1-3-6(7)9/h5H,1-4H2,(H2,13,17,18)(H,14,15,16)
InChIKeyBQGPHZPJTJPZLM-UHFFFAOYSA-N
XLogP0.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
2-oxo-N-propyl-1H-benzo[cd]indole-6-sulfonamide
CID 1820382
1-[(3,4-Dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218654
N-methyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 812408
6-(1-pyrrolidinylsulfonyl)benzo[cd]indol-2(1H)-one
CID 2219000
3-Oxo-2-azatricyclo(6.3.1.0,4,12)dodeca-1(12),4,6,8,10-pentaene-9-sulfonyl chloride
CID 3138191
N-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 755374
1-Methyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094895
N,1-dimethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094896
N-[2-(1-cyclohexen-1-yl)ethyl]-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1242012
N-[4-(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-phenyl]-acetamide
CID 1358206
N-(2,5-dimethylphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 3108091

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The IUPAC name of 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide (CID 19772331) is 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide.
What is the SMILES notation for 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The canonical SMILES for 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide is NS(=O)(=O)c1cc2c(c3c1CCCC3)NC(=O)C2=O.
What is the InChIKey of 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
The InChIKey is BQGPHZPJTJPZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c13-19(17,18)9-5-8-10(14-12(16)11(8)15)7-4-2-1-3-6(7)9/h5H,1-4H2,(H2,13,17,18)(H,14,15,16).
What are the key properties of 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide?
2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide has a molecular weight of 280.30 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-6,7,8,9-tetrahydro-1H-benzo[g]indole-5-sulfonamide is sourced from PubChem (CID 19772331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).