2-Methoxy-4-(morpholinosulfonyl)aniline

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Basic information

Standard SMILES: COc1cc(S(=O)(=O)N2CCOCC2)ccc1N
InChIKey: KZIPUYQHEQYYPR-UHFFFAOYSA-N
Molecular formula: C11H16N2O4S
Average molar mass: 272.32 g/mol
Monoisotopic mass: 272.08307817

Names & identifiers

Preferred name: 2-Methoxy-4-(morpholinosulfonyl)aniline
IUPAC: 2-methoxy-4-morpholin-4-ylsulfonylaniline

Names & synonyms

380341-86-62-methoxy-4-(morpholinosulfonyl)aniline2-Methoxy-4-(morpholine-4-sulfonyl)-phenylamine2-methoxy-4-morpholin-4-ylsulfonylanilineF1657-1687BAS 09105955Oprea1_733943MLS000716053SCHEMBL223559CHEMBL1881567KZIPUYQHEQYYPR-UHFFFAOYSA-NHMS2657F08

Show more names

SMSSF-00423152-methoxy-4-morpholinosulfonyl-anilineAKOS001025760DA-26024SMR000277570CS-0302395Z568215354-amino-3-methoxyphenylmorpholino(oxo)-lambda-sulfaniumolate

Database identifiers

PubChem CID: 974152
ChEMBL: CHEMBL1881567

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 90.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 362

Related reactions

3 records

New reaction record

HRID 417293As reactantuspto-grants-2012_01

HRID 417309As reactantuspto-grants-2012_01

HRID 960483As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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