N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide

C9H11ClFNO2S — CID 95632056

IUPACN-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO2S/c1-6(12-15(2,13)14)8-4-3-7(11)5-9(8)10/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyZLVZAEWGKLDZQY-ZCFIWIBFSA-N
MW251.71 g/mol
LogP2.09
Rot. Bonds3

About N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide

N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 95632056) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
PubChem CID95632056
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC NameN-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO2S/c1-6(12-15(2,13)14)8-4-3-7(11)5-9(8)10/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyZLVZAEWGKLDZQY-ZCFIWIBFSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
N-[1-(2-chloro-4-fluorophenyl)ethyl]methanethioamide
CID 57281551
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
2-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 119957538
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide (CID 95632056) is N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is ZLVZAEWGKLDZQY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-6(12-15(2,13)14)8-4-3-7(11)5-9(8)10/h3-6,12H,1-2H3/t6-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide?
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 251.71 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 95632056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).