N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C19H20N2O6S — CID 1091452

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C19H20N2O6S/c22-19(21-7-9-25-10-8-21)15-3-1-2-4-16(15)20-28(23,24)14-5-6-17-18(13-14)27-12-11-26-17/h1-6,13,20H,7-12H2
InChIKeyFCPPNTNWVOSLCX-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 1091452) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID1091452
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C19H20N2O6S/c22-19(21-7-9-25-10-8-21)15-3-1-2-4-16(15)20-28(23,24)14-5-6-17-18(13-14)27-12-11-26-17/h1-6,13,20H,7-12H2
InChIKeyFCPPNTNWVOSLCX-UHFFFAOYSA-N
XLogP1.73
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 1091452) is N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FCPPNTNWVOSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-19(21-7-9-25-10-8-21)15-3-1-2-4-16(15)20-28(23,24)14-5-6-17-18(13-14)27-12-11-26-17/h1-6,13,20H,7-12H2.
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 404.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 1091452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).