1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide

C9H11ClFNO2S — CID 107858740

IUPAC1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCl)c1cccc(F)c1
InChIInChI=1S/C9H11ClFNO2S/c1-7(12-15(13,14)6-10)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChIKeySYDMEHVPGYAWHR-SSDOTTSWSA-N
MW251.71 g/mol
LogP2.00
Rot. Bonds4

About 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide

1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 107858740) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
PubChem CID107858740
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCl)c1cccc(F)c1
InChIInChI=1S/C9H11ClFNO2S/c1-7(12-15(13,14)6-10)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChIKeySYDMEHVPGYAWHR-SSDOTTSWSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
3-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 107858748
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
CID 63665787
2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide (CID 107858740) is 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)CCl)c1cccc(F)c1.
What is the InChIKey of 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is SYDMEHVPGYAWHR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-7(12-15(13,14)6-10)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1.
What are the key properties of 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide?
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 251.71 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 107858740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).