5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline

C11H15BrN2O3S — CID 43257108

IUPAC5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2N)CCO1
InChIInChI=1S/C11H15BrN2O3S/c1-8-7-14(4-5-17-8)18(15,16)11-3-2-9(12)6-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyPMDJNVMWZASDIY-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.44
Rot. Bonds2

About 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline

5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline (PubChem CID 43257108) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
PubChem CID43257108
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2N)CCO1
InChIInChI=1S/C11H15BrN2O3S/c1-8-7-14(4-5-17-8)18(15,16)11-3-2-9(12)6-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyPMDJNVMWZASDIY-UHFFFAOYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline (CID 43257108) is 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline is CC1CN(S(=O)(=O)c2ccc(Br)cc2N)CCO1.
What is the InChIKey of 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline?
The InChIKey is PMDJNVMWZASDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-8-7-14(4-5-17-8)18(15,16)11-3-2-9(12)6-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline?
5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline has a molecular weight of 335.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 43257108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).