4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine

C12H14BrNO5S — CID 48944322

IUPAC4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1cc2c(cc1Br)OCCO2)N1CCOCC1
InChIInChI=1S/C12H14BrNO5S/c13-9-7-10-11(19-6-5-18-10)8-12(9)20(15,16)14-1-3-17-4-2-14/h7-8H,1-6H2
InChIKeyQQENJAXBLTUTGB-UHFFFAOYSA-N
MW364.22 g/mol
LogP1.24
Rot. Bonds2

About 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine

4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine (PubChem CID 48944322) has the molecular formula C12H14BrNO5S and a molecular weight of 364.22 g/mol. Its IUPAC name is 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
PubChem CID48944322
Molecular FormulaC12H14BrNO5S
Molecular Weight364.22 g/mol
Exact Mass362.98
IUPAC Name4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1cc2c(cc1Br)OCCO2)N1CCOCC1
InChIInChI=1S/C12H14BrNO5S/c13-9-7-10-11(19-6-5-18-10)8-12(9)20(15,16)14-1-3-17-4-2-14/h7-8H,1-6H2
InChIKeyQQENJAXBLTUTGB-UHFFFAOYSA-N
XLogP1.24
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-4-methylpiperazine
CID 48944297
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]piperidin-4-amine
CID 119959015
4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 3668553
3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one
CID 102538904
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
4-(4-bromonaphthalen-1-yl)sulfonylmorpholine
CID 1372559
(2R,4S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-2-methylpiperidin-4-amine
CID 124692066
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazine-1-carbaldehyde
CID 110758889
1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone
CID 110758890
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine (CID 48944322) is 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine is O=S(=O)(c1cc2c(cc1Br)OCCO2)N1CCOCC1.
What is the InChIKey of 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine?
The InChIKey is QQENJAXBLTUTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO5S/c13-9-7-10-11(19-6-5-18-10)8-12(9)20(15,16)14-1-3-17-4-2-14/h7-8H,1-6H2.
What are the key properties of 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine?
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine has a molecular weight of 364.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine is sourced from PubChem (CID 48944322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).