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

C12H17ClFNO2S — CID 82806041

IUPAC1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCS(=O)(=O)CCCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO2S/c1-18(16,17)7-3-5-10(15)8-9-4-2-6-11(13)12(9)14/h2,4,6,10H,3,5,7-8,15H2,1H3
InChIKeyDYHCKDLNCIFRNW-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.17
Rot. Bonds6

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

1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine (PubChem CID 82806041) has the molecular formula C12H17ClFNO2S and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
PubChem CID82806041
Molecular FormulaC12H17ClFNO2S
Molecular Weight293.79 g/mol
Exact Mass293.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCS(=O)(=O)CCCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO2S/c1-18(16,17)7-3-5-10(15)8-9-4-2-6-11(13)12(9)14/h2,4,6,10H,3,5,7-8,15H2,1H3
InChIKeyDYHCKDLNCIFRNW-UHFFFAOYSA-N
XLogP2.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
CID 82805447
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
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)-4-methoxybutan-2-amine
CID 102857532
1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
CID 64558701
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-amine
CID 102866354
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine (CID 82806041) is 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine is CS(=O)(=O)CCCC(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine?
The InChIKey is DYHCKDLNCIFRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2S/c1-18(16,17)7-3-5-10(15)8-9-4-2-6-11(13)12(9)14/h2,4,6,10H,3,5,7-8,15H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine?
1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine has a molecular weight of 293.79 g/mol, XLogP of 2.17, 6 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-methylsulfonylpentan-2-amine is sourced from PubChem (CID 82806041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).