2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine

C15H15ClFNO2S — CID 115477299

IUPAC2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-20-11-4-2-10(3-5-11)15(18)9-21(19)12-6-7-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyWUFQWEZISXKYTG-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.30
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine

2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 115477299) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
PubChem CID115477299
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-20-11-4-2-10(3-5-11)15(18)9-21(19)12-6-7-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyWUFQWEZISXKYTG-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 64652626
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769
2-chloro-4-(2,2-diethoxyethylsulfinyl)-1-fluorobenzene
CID 115477393
ethyl 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylpropanoate
CID 113318090
methyl 2-acetamido-3-(3-chloro-4-fluorophenyl)sulfinylpropanoate
CID 115477184
1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
CID 115477193
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-4-methoxyaniline
CID 115477239
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine (CID 115477299) is 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CS(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is WUFQWEZISXKYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-20-11-4-2-10(3-5-11)15(18)9-21(19)12-6-7-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 327.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115477299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).