1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide

C15H10F2N2O4S — CID 129218439

IUPAC1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O4S/c16-11-2-1-3-12(17)10(11)7-19-13-5-4-8(24(18,22)23)6-9(13)14(20)15(19)21/h1-6H,7H2,(H2,18,22,23)
InChIKeyBPEUTPBFTONGJT-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.34
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide

1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide (PubChem CID 129218439) has the molecular formula C15H10F2N2O4S and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
PubChem CID129218439
Molecular FormulaC15H10F2N2O4S
Molecular Weight352.32 g/mol
Exact Mass352.03
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O4S/c16-11-2-1-3-12(17)10(11)7-19-13-5-4-8(24(18,22)23)6-9(13)14(20)15(19)21/h1-6H,7H2,(H2,18,22,23)
InChIKeyBPEUTPBFTONGJT-UHFFFAOYSA-N
XLogP1.34
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-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
5-fluoro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 7678107
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
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
(S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11444079
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide (CID 129218439) is 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The InChIKey is BPEUTPBFTONGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4S/c16-11-2-1-3-12(17)10(11)7-19-13-5-4-8(24(18,22)23)6-9(13)14(20)15(19)21/h1-6H,7H2,(H2,18,22,23).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide has a molecular weight of 352.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide is sourced from PubChem (CID 129218439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).