3-morpholin-4-ylsulfonylaniline

C10H14N2O3S — CID 559410

IUPAC3-morpholin-4-ylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H14N2O3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7,11H2
InChIKeyFKFOJDYRQYJURJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.29
Rot. Bonds2

About 3-morpholin-4-ylsulfonylaniline

3-morpholin-4-ylsulfonylaniline (PubChem CID 559410) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonylaniline
PubChem CID559410
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-morpholin-4-ylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H14N2O3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7,11H2
InChIKeyFKFOJDYRQYJURJ-UHFFFAOYSA-N
XLogP0.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.29
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 3-morpholin-4-ylsulfonylaniline?
The IUPAC name of 3-morpholin-4-ylsulfonylaniline (CID 559410) is 3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 3-morpholin-4-ylsulfonylaniline is Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonylaniline?
The InChIKey is FKFOJDYRQYJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7,11H2.
What are the key properties of 3-morpholin-4-ylsulfonylaniline?
3-morpholin-4-ylsulfonylaniline has a molecular weight of 242.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 559410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).