1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine

C13H19ClFNO2S — CID 82805447

IUPAC1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H19ClFNO2S/c1-2-19(17,18)8-4-6-11(16)9-10-5-3-7-12(14)13(10)15/h3,5,7,11H,2,4,6,8-9,16H2,1H3
InChIKeyVRPWUGUXBRINLU-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine

1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine (PubChem CID 82805447) has the molecular formula C13H19ClFNO2S and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
PubChem CID82805447
Molecular FormulaC13H19ClFNO2S
Molecular Weight307.82 g/mol
Exact Mass307.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H19ClFNO2S/c1-2-19(17,18)8-4-6-11(16)9-10-5-3-7-12(14)13(10)15/h3,5,7,11H,2,4,6,8-9,16H2,1H3
InChIKeyVRPWUGUXBRINLU-UHFFFAOYSA-N
XLogP2.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 82806041
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-amine
CID 102866354
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine (CID 82805447) is 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine is CCS(=O)(=O)CCCC(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine?
The InChIKey is VRPWUGUXBRINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2S/c1-2-19(17,18)8-4-6-11(16)9-10-5-3-7-12(14)13(10)15/h3,5,7,11H,2,4,6,8-9,16H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine?
1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine is sourced from PubChem (CID 82805447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).