3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine

C12H15F2NO3S — CID 64645068

IUPAC3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3S/c1-15-11-4-5-18-7-12(11)19(16,17)8-2-3-9(13)10(14)6-8/h2-3,6,11-12,15H,4-5,7H2,1H3
InChIKeyOHRCOIZVAWGFDF-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.12
Rot. Bonds3

About 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine

3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine (PubChem CID 64645068) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine
PubChem CID64645068
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3S/c1-15-11-4-5-18-7-12(11)19(16,17)8-2-3-9(13)10(14)6-8/h2-3,6,11-12,15H,4-5,7H2,1H3
InChIKeyOHRCOIZVAWGFDF-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine?
The IUPAC name of 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine (CID 64645068) is 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine is CNC1CCOCC1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine?
The InChIKey is OHRCOIZVAWGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-15-11-4-5-18-7-12(11)19(16,17)8-2-3-9(13)10(14)6-8/h2-3,6,11-12,15H,4-5,7H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine?
3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine has a molecular weight of 291.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfonyl-N-methyloxan-4-amine is sourced from PubChem (CID 64645068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).