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

C14H19ClFNO3S — CID 64674935

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO3S/c1-2-6-17-13-5-7-20-9-14(13)21(18,19)10-3-4-12(16)11(15)8-10/h3-4,8,13-14,17H,2,5-7,9H2,1H3
InChIKeyDULJCQMZLKOHEW-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.41
Rot. Bonds5

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

3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine (PubChem CID 64674935) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
PubChem CID64674935
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO3S/c1-2-6-17-13-5-7-20-9-14(13)21(18,19)10-3-4-12(16)11(15)8-10/h3-4,8,13-14,17H,2,5-7,9H2,1H3
InChIKeyDULJCQMZLKOHEW-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine (CID 64674935) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine is CCCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
The InChIKey is DULJCQMZLKOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-2-6-17-13-5-7-20-9-14(13)21(18,19)10-3-4-12(16)11(15)8-10/h3-4,8,13-14,17H,2,5-7,9H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine has a molecular weight of 335.83 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-propyloxan-4-amine is sourced from PubChem (CID 64674935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).