4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine

C16H16BrNO4S — CID 1257549

IUPAC4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCOCC1
InChIInChI=1S/C16H16BrNO4S/c17-13-1-3-14(4-2-13)22-15-5-7-16(8-6-15)23(19,20)18-9-11-21-12-10-18/h1-8H,9-12H2
InChIKeyXBAUMYOXZJAJBD-UHFFFAOYSA-N
MW398.28 g/mol
LogP3.26
Rot. Bonds4

About 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine

4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine (PubChem CID 1257549) has the molecular formula C16H16BrNO4S and a molecular weight of 398.28 g/mol. Its IUPAC name is 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
PubChem CID1257549
Molecular FormulaC16H16BrNO4S
Molecular Weight398.28 g/mol
Exact Mass397.00
IUPAC Name4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCOCC1
InChIInChI=1S/C16H16BrNO4S/c17-13-1-3-14(4-2-13)22-15-5-7-16(8-6-15)23(19,20)18-9-11-21-12-10-18/h1-8H,9-12H2
InChIKeyXBAUMYOXZJAJBD-UHFFFAOYSA-N
XLogP3.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile
CID 171989527
1-[4-(4-bromophenoxy)phenyl]sulfonyl-4-methylpiperidine
CID 91806952
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23855200
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
CID 67046009
N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine
CID 142989221
(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
CID 9332211
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
(4-tert-butylphenyl) 4-morpholin-4-ylsulfonylbenzenesulfonate
CID 32737743

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine (CID 1257549) is 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine?
The InChIKey is XBAUMYOXZJAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4S/c17-13-1-3-14(4-2-13)22-15-5-7-16(8-6-15)23(19,20)18-9-11-21-12-10-18/h1-8H,9-12H2.
What are the key properties of 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine?
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine has a molecular weight of 398.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 1257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).