2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide

C10H13ClFNO2S — CID 107650619

IUPAC2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCc1ccccc1F
InChIInChI=1S/C10H13ClFNO2S/c11-6-8-16(14,15)13-7-5-9-3-1-2-4-10(9)12/h1-4,13H,5-8H2
InChIKeyURILSVRSYODTMZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.53
Rot. Bonds6

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

2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide (PubChem CID 107650619) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
PubChem CID107650619
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCc1ccccc1F
InChIInChI=1S/C10H13ClFNO2S/c11-6-8-16(14,15)13-7-5-9-3-1-2-4-10(9)12/h1-4,13H,5-8H2
InChIKeyURILSVRSYODTMZ-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.53
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

4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067596
3-[2-(2-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691927
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
CID 110356377
2-(2-fluorophenyl)ethanesulfonyl chloride
CID 2759096
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide (CID 107650619) is 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide is O=S(=O)(CCCl)NCCc1ccccc1F.
What is the InChIKey of 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide?
The InChIKey is URILSVRSYODTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c11-6-8-16(14,15)13-7-5-9-3-1-2-4-10(9)12/h1-4,13H,5-8H2.
What are the key properties of 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide?
2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 107650619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).