N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H20N2O7S2 — CID 4298219

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O7S2/c21-28(22,15-4-5-17-18(13-15)27-11-10-26-17)19-14-2-1-3-16(12-14)29(23,24)20-6-8-25-9-7-20/h1-5,12-13,19H,6-11H2
InChIKeyFMJNBXCSDIUYDK-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.28
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 4298219) has the molecular formula C18H20N2O7S2 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID4298219
Molecular FormulaC18H20N2O7S2
Molecular Weight440.50 g/mol
Exact Mass440.07
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O7S2/c21-28(22,15-4-5-17-18(13-15)27-11-10-26-17)19-14-2-1-3-16(12-14)29(23,24)20-6-8-25-9-7-20/h1-5,12-13,19H,6-11H2
InChIKeyFMJNBXCSDIUYDK-UHFFFAOYSA-N
XLogP1.28
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 4298219) is N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FMJNBXCSDIUYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S2/c21-28(22,15-4-5-17-18(13-15)27-11-10-26-17)19-14-2-1-3-16(12-14)29(23,24)20-6-8-25-9-7-20/h1-5,12-13,19H,6-11H2.
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 440.50 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 4298219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).