N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C22H27N3O8S2 — CID 3966312

IUPACN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H27N3O8S2/c26-34(27,17-2-4-21-22(16-17)33-14-13-32-21)23-19-15-18(35(28,29)25-7-11-31-12-8-25)1-3-20(19)24-5-9-30-10-6-24/h1-4,15-16,23H,5-14H2
InChIKeyMUWYSTJWISTNED-UHFFFAOYSA-N
MW525.61 g/mol
LogP1.12
Rot. Bonds6

About N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 3966312) has the molecular formula C22H27N3O8S2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID3966312
Molecular FormulaC22H27N3O8S2
Molecular Weight525.61 g/mol
Exact Mass525.12
IUPAC NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H27N3O8S2/c26-34(27,17-2-4-21-22(16-17)33-14-13-32-21)23-19-15-18(35(28,29)25-7-11-31-12-8-25)1-3-20(19)24-5-9-30-10-6-24/h1-4,15-16,23H,5-14H2
InChIKeyMUWYSTJWISTNED-UHFFFAOYSA-N
XLogP1.12
TPSA123.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-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-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25376332
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 17458980
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 24585839

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 3966312) is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is MUWYSTJWISTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O8S2/c26-34(27,17-2-4-21-22(16-17)33-14-13-32-21)23-19-15-18(35(28,29)25-7-11-31-12-8-25)1-3-20(19)24-5-9-30-10-6-24/h1-4,15-16,23H,5-14H2.
What are the key properties of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 525.61 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 3966312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).