N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C20H24N2O5S — CID 9190592

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O5S/c23-28(24,18-5-6-19-20(13-18)27-12-11-26-19)21-14-16-3-1-2-4-17(16)15-22-7-9-25-10-8-22/h1-6,13,21H,7-12,14-15H2
InChIKeyFTKBZKJUJZRTMF-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.77
Rot. Bonds6

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 9190592) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID9190592
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O5S/c23-28(24,18-5-6-19-20(13-18)27-12-11-26-19)21-14-16-3-1-2-4-17(16)15-22-7-9-25-10-8-22/h1-6,13,21H,7-12,14-15H2
InChIKeyFTKBZKJUJZRTMF-UHFFFAOYSA-N
XLogP1.77
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110671509
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35390284
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9302037
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110730433
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53281595
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30380953
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 100530587
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30836060

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 9190592) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FTKBZKJUJZRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c23-28(24,18-5-6-19-20(13-18)27-12-11-26-19)21-14-16-3-1-2-4-17(16)15-22-7-9-25-10-8-22/h1-6,13,21H,7-12,14-15H2.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 9190592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).