4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine

C11H14BrNO4S — CID 765798

IUPAC4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C11H14BrNO4S/c1-16-11-3-2-9(8-10(11)12)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyRWJSUVJCGXKOJO-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.48
Rot. Bonds3

About 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine

4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine (PubChem CID 765798) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine
PubChem CID765798
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C11H14BrNO4S/c1-16-11-3-2-9(8-10(11)12)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyRWJSUVJCGXKOJO-UHFFFAOYSA-N
XLogP1.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
4-{[4-(4-Bromophenoxy)phenyl]sulfonyl}morpholine
CID 1257549
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
4-[(5-Bromo-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2933068
4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
4-((4-Methoxyphenyl)sulfonyl)morpholine
CID 772137
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]piperidine
CID 738615

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine (CID 765798) is 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine?
The InChIKey is RWJSUVJCGXKOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-16-11-3-2-9(8-10(11)12)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine?
4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine has a molecular weight of 336.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 765798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).