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

C23H22FNO5S — CID 19260141

IUPACN-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1OCCN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22FNO5S/c1-17-6-2-5-9-21(17)28-13-12-25(20-8-4-3-7-19(20)24)31(26,27)18-10-11-22-23(16-18)30-15-14-29-22/h2-11,16H,12-15H2,1H3
InChIKeyNYOLJWDPKMLMCW-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.18
Rot. Bonds7

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

N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 19260141) has the molecular formula C23H22FNO5S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID19260141
Molecular FormulaC23H22FNO5S
Molecular Weight443.50 g/mol
Exact Mass443.12
IUPAC NameN-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1OCCN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22FNO5S/c1-17-6-2-5-9-21(17)28-13-12-25(20-8-4-3-7-19(20)24)31(26,27)18-10-11-22-23(16-18)30-15-14-29-22/h2-11,16H,12-15H2,1H3
InChIKeyNYOLJWDPKMLMCW-UHFFFAOYSA-N
XLogP4.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)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

N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260129
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2176046
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide
CID 19260303
N-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260194
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-propan-2-ylacetamide
CID 19260268
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(2-methylphenyl)acetamide
CID 1075546
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55952295
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
CID 113059255
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
(2-ethoxyphenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate
CID 26948912
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 19260141) is N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccccc1OCCN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NYOLJWDPKMLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5S/c1-17-6-2-5-9-21(17)28-13-12-25(20-8-4-3-7-19(20)24)31(26,27)18-10-11-22-23(16-18)30-15-14-29-22/h2-11,16H,12-15H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 19260141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).