1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide

C16H14N4O6S2 — CID 24622202

IUPAC1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H14N4O6S2/c17-27(23,24)10-2-4-14-9(7-10)5-6-20(14)28(25,26)11-1-3-12-13(8-11)19-16(22)15(21)18-12/h1-4,7-8H,5-6H2,(H,18,21)(H,19,22)(H2,17,23,24)
InChIKeySZUIKVSCKUJSRK-UHFFFAOYSA-N
MW422.44 g/mol
LogP-0.38
Rot. Bonds3

About 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide

1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 24622202) has the molecular formula C16H14N4O6S2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID24622202
Molecular FormulaC16H14N4O6S2
Molecular Weight422.44 g/mol
Exact Mass422.04
IUPAC Name1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H14N4O6S2/c17-27(23,24)10-2-4-14-9(7-10)5-6-20(14)28(25,26)11-1-3-12-13(8-11)19-16(22)15(21)18-12/h1-4,7-8H,5-6H2,(H,18,21)(H,19,22)(H2,17,23,24)
InChIKeySZUIKVSCKUJSRK-UHFFFAOYSA-N
XLogP-0.38
TPSA163.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 110714206
1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 56561787
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 31781525
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95169419
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide (CID 24622202) is 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SZUIKVSCKUJSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6S2/c17-27(23,24)10-2-4-14-9(7-10)5-6-20(14)28(25,26)11-1-3-12-13(8-11)19-16(22)15(21)18-12/h1-4,7-8H,5-6H2,(H,18,21)(H,19,22)(H2,17,23,24).
What are the key properties of 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide?
1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 422.44 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24622202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).