N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H16F2N2O6S2 — CID 25243784

IUPACN-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16F2N2O6S2/c17-12-2-1-3-13(18)16(12)28(23,24)20-7-6-19-27(21,22)11-4-5-14-15(10-11)26-9-8-25-14/h1-5,10,19-20H,6-9H2
InChIKeyGHLXURDUKGBINJ-UHFFFAOYSA-N
MW434.44 g/mol
LogP0.99
Rot. Bonds7

About N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 25243784) has the molecular formula C16H16F2N2O6S2 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID25243784
Molecular FormulaC16H16F2N2O6S2
Molecular Weight434.44 g/mol
Exact Mass434.04
IUPAC NameN-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16F2N2O6S2/c17-12-2-1-3-13(18)16(12)28(23,24)20-7-6-19-27(21,22)11-4-5-14-15(10-11)26-9-8-25-14/h1-5,10,19-20H,6-9H2
InChIKeyGHLXURDUKGBINJ-UHFFFAOYSA-N
XLogP0.99
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-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

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
CID 2769942
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243730
N-[1-(2,6-difluorophenyl)sulfonyl-3-pyrrolidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243785
N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2897360
1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-4-((3-fluorophenyl)sulfonyl)piperazine
CID 2460181
1,4-Bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 24420500
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methoxyphenyl)sulfonylpiperazine
CID 25243709
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 25243710
1-(Benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243713
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 25243714

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 25243784) is N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is GHLXURDUKGBINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O6S2/c17-12-2-1-3-13(18)16(12)28(23,24)20-7-6-19-27(21,22)11-4-5-14-15(10-11)26-9-8-25-14/h1-5,10,19-20H,6-9H2.
What are the key properties of N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 434.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 25243784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).