1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine

C10H13ClFNO2S — CID 102867071

IUPAC1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO2S/c1-16(14,15)6-8(13)5-7-3-2-4-9(11)10(7)12/h2-4,8H,5-6,13H2,1H3
InChIKeyWDCBMVMGQBHIDG-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.39
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine

1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine (PubChem CID 102867071) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
PubChem CID102867071
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO2S/c1-16(14,15)6-8(13)5-7-3-2-4-9(11)10(7)12/h2-4,8H,5-6,13H2,1H3
InChIKeyWDCBMVMGQBHIDG-UHFFFAOYSA-N
XLogP1.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.39
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)-5-ethylsulfonylpentan-2-amine
CID 82805447
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-amine
CID 102866354
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
CID 82805672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine (CID 102867071) is 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine is CS(=O)(=O)CC(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The InChIKey is WDCBMVMGQBHIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-16(14,15)6-8(13)5-7-3-2-4-9(11)10(7)12/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine has a molecular weight of 265.74 g/mol, XLogP of 1.39, 4 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)-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 102867071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).