[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol

C11H13Br2NO4S — CID 81219809

IUPAC[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1Br)N1CCOC(CO)C1
InChIInChI=1S/C11H13Br2NO4S/c12-8-1-2-11(10(13)5-8)19(16,17)14-3-4-18-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeyNBPPNDXSDUEOEY-UHFFFAOYSA-N
MW415.10 g/mol
LogP1.59
Rot. Bonds3

About [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol

[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81219809) has the molecular formula C11H13Br2NO4S and a molecular weight of 415.10 g/mol. Its IUPAC name is [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81219809
Molecular FormulaC11H13Br2NO4S
Molecular Weight415.10 g/mol
Exact Mass412.89
IUPAC Name[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1Br)N1CCOC(CO)C1
InChIInChI=1S/C11H13Br2NO4S/c12-8-1-2-11(10(13)5-8)19(16,17)14-3-4-18-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeyNBPPNDXSDUEOEY-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928
2-[4-(5-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433224
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208677
[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81213005
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylbenzenecarbothioamide
CID 81202964
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol (CID 81219809) is [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol is O=S(=O)(c1ccc(Br)cc1Br)N1CCOC(CO)C1.
What is the InChIKey of [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is NBPPNDXSDUEOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO4S/c12-8-1-2-11(10(13)5-8)19(16,17)14-3-4-18-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol?
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 415.10 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).