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

C18H20N2O5S — CID 2444334

IUPACN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O5S/c21-26(22,14-5-6-17-18(13-14)25-12-11-24-17)19-15-3-1-2-4-16(15)20-7-9-23-10-8-20/h1-6,13,19H,7-12H2
InChIKeyDBJJUCJUQZFABZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.10
Rot. Bonds4

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

N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2444334) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2444334
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O5S/c21-26(22,14-5-6-17-18(13-14)25-12-11-24-17)19-15-3-1-2-4-16(15)20-7-9-23-10-8-20/h1-6,13,19H,7-12H2
InChIKeyDBJJUCJUQZFABZ-UHFFFAOYSA-N
XLogP2.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 3966312
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8841812
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636
sodium N-(2-morpholin-4-ylphenyl)sulfamate
CID 174221479
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
4-[2-(sulfamoylamino)phenyl]morpholine
CID 112573552
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122320602

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2444334) is N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is DBJJUCJUQZFABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-26(22,14-5-6-17-18(13-14)25-12-11-24-17)19-15-3-1-2-4-16(15)20-7-9-23-10-8-20/h1-6,13,19H,7-12H2.
What are the key properties of N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 376.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2444334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).