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

C14H20FNO3S — CID 64638626

IUPAC3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3S/c1-2-8-16-13-7-9-19-10-14(13)20(17,18)12-5-3-11(15)4-6-12/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeySUCMWEYPJMGVDO-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.76
Rot. Bonds5

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

3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine (PubChem CID 64638626) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
PubChem CID64638626
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3S/c1-2-8-16-13-7-9-19-10-14(13)20(17,18)12-5-3-11(15)4-6-12/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeySUCMWEYPJMGVDO-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.76
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-propyloxan-4-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine (CID 64638626) is 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine is CCCNC1CCOCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
The InChIKey is SUCMWEYPJMGVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-8-16-13-7-9-19-10-14(13)20(17,18)12-5-3-11(15)4-6-12/h3-6,13-14,16H,2,7-10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
3-(4-fluorophenyl)sulfonyl-N-propyloxan-4-amine has a molecular weight of 301.38 g/mol, XLogP of 1.76, 5 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-propyloxan-4-amine is sourced from PubChem (CID 64638626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).