3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine

C11H13ClFNO3S — CID 64676513

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine
SMILESNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO3S/c12-8-5-7(1-2-9(8)13)18(15,16)11-6-17-4-3-10(11)14/h1-2,5,10-11H,3-4,6,14H2
InChIKeyVRFVSLHLIWXWRY-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.37
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine

3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine (PubChem CID 64676513) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine
PubChem CID64676513
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine
SMILESNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO3S/c12-8-5-7(1-2-9(8)13)18(15,16)11-6-17-4-3-10(11)14/h1-2,5,10-11H,3-4,6,14H2
InChIKeyVRFVSLHLIWXWRY-UHFFFAOYSA-N
XLogP1.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine (CID 64676513) is 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine is NC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine?
The InChIKey is VRFVSLHLIWXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-8-5-7(1-2-9(8)13)18(15,16)11-6-17-4-3-10(11)14/h1-2,5,10-11H,3-4,6,14H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine?
3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine has a molecular weight of 293.75 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyloxan-4-amine is sourced from PubChem (CID 64676513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).