3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine

C12H16FNO3S — CID 64640211

IUPAC3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-14-11-6-7-17-8-12(11)18(15,16)10-4-2-9(13)3-5-10/h2-5,11-12,14H,6-8H2,1H3
InChIKeyZADNKYPCOWLNDT-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.98
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine

3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine (PubChem CID 64640211) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
PubChem CID64640211
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-14-11-6-7-17-8-12(11)18(15,16)10-4-2-9(13)3-5-10/h2-5,11-12,14H,6-8H2,1H3
InChIKeyZADNKYPCOWLNDT-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine (CID 64640211) is 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine is CNC1CCOCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
The InChIKey is ZADNKYPCOWLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-14-11-6-7-17-8-12(11)18(15,16)10-4-2-9(13)3-5-10/h2-5,11-12,14H,6-8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine has a molecular weight of 273.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-methyloxan-4-amine is sourced from PubChem (CID 64640211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).