4-fluoro-3-morpholin-4-ylsulfonylaniline

C10H13FN2O3S — CID 3868145

IUPAC4-fluoro-3-morpholin-4-ylsulfonylaniline
SMILESNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H13FN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeySLZFZVSFWOAOAM-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.43
Rot. Bonds2

About 4-fluoro-3-morpholin-4-ylsulfonylaniline

4-fluoro-3-morpholin-4-ylsulfonylaniline (PubChem CID 3868145) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonylaniline
PubChem CID3868145
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonylaniline
SMILESNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H13FN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
InChIKeySLZFZVSFWOAOAM-UHFFFAOYSA-N
XLogP0.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.43
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 4-fluoro-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonylaniline (CID 3868145) is 4-fluoro-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonylaniline is Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonylaniline?
The InChIKey is SLZFZVSFWOAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonylaniline?
4-fluoro-3-morpholin-4-ylsulfonylaniline has a molecular weight of 260.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3868145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).