2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine

C10H13ClFNO2S — CID 105424704

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine
SMILESCNCC(F)c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C10H13ClFNO2S/c1-13-6-9(12)7-3-4-10(8(11)5-7)16(2,14)15/h3-5,9,13H,6H2,1-2H3
InChIKeyKJFITNYUUVFDKN-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine

2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine (PubChem CID 105424704) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine
PubChem CID105424704
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine
SMILESCNCC(F)c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C10H13ClFNO2S/c1-13-6-9(12)7-3-4-10(8(11)5-7)16(2,14)15/h3-5,9,13H,6H2,1-2H3
InChIKeyKJFITNYUUVFDKN-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117409173
4-amino-4-(3-chloro-4-methylsulfonylphenyl)butanoic acid
CID 117471187
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
CID 117360557
1-[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]-1-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]-(methylcarbamoyl)amino]-3-methylurea
CID 67486721
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(3-hydroxycyclopentyl)propanoic acid
CID 67488022
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(3-oxocyclobutyl)propanoic acid
CID 67191351
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758
sodium;2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoic acid;hydride
CID 173032720
(1S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-methylsulfonylphenyl)propan-1-ol
CID 134419986

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine (CID 105424704) is 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine is CNCC(F)c1ccc(S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine?
The InChIKey is KJFITNYUUVFDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-13-6-9(12)7-3-4-10(8(11)5-7)16(2,14)15/h3-5,9,13H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine?
2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine has a molecular weight of 265.74 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfonylphenyl)-2-fluoro-N-methylethanamine is sourced from PubChem (CID 105424704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).