3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine

C14H19F2NO3S — CID 64645341

IUPAC3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO3S/c1-2-6-17-12-5-7-20-9-14(12)21(18,19)13-8-10(15)3-4-11(13)16/h3-4,8,12,14,17H,2,5-7,9H2,1H3
InChIKeyJOIJJUGGNDPXEN-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.90
Rot. Bonds5

About 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine

3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine (PubChem CID 64645341) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine
PubChem CID64645341
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO3S/c1-2-6-17-12-5-7-20-9-14(12)21(18,19)13-8-10(15)3-4-11(13)16/h3-4,8,12,14,17H,2,5-7,9H2,1H3
InChIKeyJOIJJUGGNDPXEN-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine?
The IUPAC name of 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine (CID 64645341) is 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine is CCCNC1CCOCC1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine?
The InChIKey is JOIJJUGGNDPXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-2-6-17-12-5-7-20-9-14(12)21(18,19)13-8-10(15)3-4-11(13)16/h3-4,8,12,14,17H,2,5-7,9H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine?
3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine has a molecular weight of 319.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfonyl-N-propyloxan-4-amine is sourced from PubChem (CID 64645341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).