4-(4-bromo-2-methylphenyl)sulfonylmorpholine

C11H14BrNO3S — CID 685054

IUPAC4-(4-bromo-2-methylphenyl)sulfonylmorpholine
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14BrNO3S/c1-9-8-10(12)2-3-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyPQMSKGSZWULGBH-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.78
Rot. Bonds2

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

4-(4-bromo-2-methylphenyl)sulfonylmorpholine (PubChem CID 685054) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenyl)sulfonylmorpholine
PubChem CID685054
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-(4-bromo-2-methylphenyl)sulfonylmorpholine
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H14BrNO3S/c1-9-8-10(12)2-3-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyPQMSKGSZWULGBH-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2-methylphenyl)sulfonylmorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-bromo-2-methylphenyl)sulfonylmorpholine (CID 685054) is 4-(4-bromo-2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-bromo-2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-bromo-2-methylphenyl)sulfonylmorpholine is Cc1cc(Br)ccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(4-bromo-2-methylphenyl)sulfonylmorpholine?
The InChIKey is PQMSKGSZWULGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-9-8-10(12)2-3-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-2-methylphenyl)sulfonylmorpholine?
4-(4-bromo-2-methylphenyl)sulfonylmorpholine has a molecular weight of 320.21 g/mol, XLogP of 1.78, 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-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 685054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).