2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide

C15H7F5N2O4S — CID 129218463

IUPAC2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H7F5N2O4S/c16-9-7(10(17)12(19)13(20)11(9)18)4-22-8-2-1-5(27(21,25)26)3-6(8)14(23)15(22)24/h1-3H,4H2,(H2,21,25,26)
InChIKeyPDEATDKYRXVLKS-UHFFFAOYSA-N
MW406.29 g/mol
LogP1.76
Rot. Bonds3

About 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide

2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide (PubChem CID 129218463) has the molecular formula C15H7F5N2O4S and a molecular weight of 406.29 g/mol. Its IUPAC name is 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide
PubChem CID129218463
Molecular FormulaC15H7F5N2O4S
Molecular Weight406.29 g/mol
Exact Mass406.00
IUPAC Name2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H7F5N2O4S/c16-9-7(10(17)12(19)13(20)11(9)18)4-22-8-2-1-5(27(21,25)26)3-6(8)14(23)15(22)24/h1-3H,4H2,(H2,21,25,26)
InChIKeyPDEATDKYRXVLKS-UHFFFAOYSA-N
XLogP1.76
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isatin Sulfonamide 26
CID 9800285
2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
Sodium 2,3-dioxoindoline-5-sulfonate
CID 3657942
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
1-[2-(phenylsulfonyl)ethyl]-1H-indole-2,3-dione
CID 8056910
Isatin sulfonamide, 16a
CID 42618287
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896
5-(Azepan-1-ylsulfonyl)-1H-indole-2,3-dione
CID 9839586

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide?
The IUPAC name of 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide (CID 129218463) is 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide.
What is the SMILES notation for 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide?
The canonical SMILES for 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide?
The InChIKey is PDEATDKYRXVLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O4S/c16-9-7(10(17)12(19)13(20)11(9)18)4-22-8-2-1-5(27(21,25)26)3-6(8)14(23)15(22)24/h1-3H,4H2,(H2,21,25,26).
What are the key properties of 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide?
2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide has a molecular weight of 406.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide is sourced from PubChem (CID 129218463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).