[4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C12H15BrFNO4S — CID 102976087

IUPAC[4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CC(CO)O1
InChIInChI=1S/C12H15BrFNO4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9,16H,5-7H2,1H3
InChIKeyREBJBRARUHMPQV-UHFFFAOYSA-N
MW368.22 g/mol
LogP1.36
Rot. Bonds3

About [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102976087) has the molecular formula C12H15BrFNO4S and a molecular weight of 368.22 g/mol. Its IUPAC name is [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102976087
Molecular FormulaC12H15BrFNO4S
Molecular Weight368.22 g/mol
Exact Mass366.99
IUPAC Name[4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CC(CO)O1
InChIInChI=1S/C12H15BrFNO4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9,16H,5-7H2,1H3
InChIKeyREBJBRARUHMPQV-UHFFFAOYSA-N
XLogP1.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102976087) is [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CC(CO)O1.
What is the InChIKey of [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is REBJBRARUHMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9,16H,5-7H2,1H3.
What are the key properties of [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 368.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102976087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).