4-(4-bromo-2-fluorophenyl)sulfonylmorpholine

C10H11BrFNO3S — CID 53440012

IUPAC4-(4-bromo-2-fluorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2
InChIKeyBQYQHCWRUSXGLN-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.61
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine

4-(4-bromo-2-fluorophenyl)sulfonylmorpholine (PubChem CID 53440012) has the molecular formula C10H11BrFNO3S and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)sulfonylmorpholine
PubChem CID53440012
Molecular FormulaC10H11BrFNO3S
Molecular Weight324.17 g/mol
Exact Mass322.96
IUPAC Name4-(4-bromo-2-fluorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2
InChIKeyBQYQHCWRUSXGLN-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Phenylsulfonyl)morpholine
CID 95050
4-[(4-Bromobenzene)sulfonyl]morpholine
CID 253128
4-Bromo-N-morpholinobenzenesulfonamide
CID 896933
4-((3-Bromophenyl)sulphonyl)morpholine
CID 3696002
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377
1-((4-Bromo-2-fluorophenyl)sulfonyl)piperidin-4-ol
CID 45480002
4-(3-Bromo-4-fluorophenyl)sulfonylmorpholine-3-carbonitrile
CID 71991266
4-[(3,4-Difluorophenyl)sulfonyl]morpholine
CID 2318412
4-(2,4-Dibromobenzenesulfonyl)morpholine
CID 1069780
4-(4-Fluorophenyl)sulfinylmorpholine
CID 134967940
4-((2,5-Dibromophenyl)sulfonyl)morpholine
CID 4453927

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine (CID 53440012) is 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine is O=S(=O)(c1ccc(Br)cc1F)N1CCOCC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine?
The InChIKey is BQYQHCWRUSXGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2.
What are the key properties of 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine?
4-(4-bromo-2-fluorophenyl)sulfonylmorpholine has a molecular weight of 324.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine is sourced from PubChem (CID 53440012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).