N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine

C13H18FNO3S — CID 64639620

IUPACN-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-2-15-12-7-8-18-9-13(12)19(16,17)11-5-3-10(14)4-6-11/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyRNEGRISNQUFICH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.37
Rot. Bonds4

About N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine

N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine (PubChem CID 64639620) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
PubChem CID64639620
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-2-15-12-7-8-18-9-13(12)19(16,17)11-5-3-10(14)4-6-11/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyRNEGRISNQUFICH-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine (CID 64639620) is N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine is CCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine?
The InChIKey is RNEGRISNQUFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-2-15-12-7-8-18-9-13(12)19(16,17)11-5-3-10(14)4-6-11/h3-6,12-13,15H,2,7-9H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine?
N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine has a molecular weight of 287.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine is sourced from PubChem (CID 64639620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).