4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine

C11H14BrNO4S — CID 775747

IUPAC4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14BrNO4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyVTEGRVPWQCKYTN-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.48
Rot. Bonds3

About 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine

4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine (PubChem CID 775747) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine
PubChem CID775747
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14BrNO4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyVTEGRVPWQCKYTN-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

Analyze 4-(5-bromo-2-methoxyphenyl)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

3-((5-Bromo-2-ethoxyphenyl)sulfonyl)thiazolidine
CID 1236384
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
5-Bromo-2-ethoxybenzenesulfonamide
CID 2321418
1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
CID 700232
4-Bromo-2-(1-pyrrolidinylsulfonyl)phenyl ethyl ether
CID 700235
4-{[4-(4-Bromophenoxy)phenyl]sulfonyl}morpholine
CID 1257549
4-[(5-Bromo-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2933068
4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine (CID 775747) is 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine is COc1ccc(Br)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine?
The InChIKey is VTEGRVPWQCKYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)sulfonylmorpholine?
4-(5-bromo-2-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-(5-bromo-2-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 775747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).