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

C10H13ClFNO2S — CID 107858739

IUPAC2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCl)c1cccc(F)c1
InChIInChI=1S/C10H13ClFNO2S/c1-8(13-16(14,15)6-5-11)9-3-2-4-10(12)7-9/h2-4,7-8,13H,5-6H2,1H3/t8-/m1/s1
InChIKeySGTFNFSHLDATDO-MRVPVSSYSA-N
MW265.74 g/mol
LogP2.04
Rot. Bonds5

About 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide

2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide (PubChem CID 107858739) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
PubChem CID107858739
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCl)c1cccc(F)c1
InChIInChI=1S/C10H13ClFNO2S/c1-8(13-16(14,15)6-5-11)9-3-2-4-10(12)7-9/h2-4,7-8,13H,5-6H2,1H3/t8-/m1/s1
InChIKeySGTFNFSHLDATDO-MRVPVSSYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.04
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
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
3-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 107858748
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-chloro-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 107650505
2-chloro-N-[(1S)-1-pyridin-4-ylethyl]ethanesulfonamide
CID 107858762
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide (CID 107858739) is 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide is C[C@@H](NS(=O)(=O)CCCl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide?
The InChIKey is SGTFNFSHLDATDO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-8(13-16(14,15)6-5-11)9-3-2-4-10(12)7-9/h2-4,7-8,13H,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide?
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 107858739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).