2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide

C11H14ClF2NO3S — CID 107651305

IUPAC2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCCl)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H14ClF2NO3S/c1-8(15-19(16,17)6-5-12)9-3-2-4-10(7-9)18-11(13)14/h2-4,7-8,11,15H,5-6H2,1H3
InChIKeyYAQZBHBDOSPWMJ-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.51
Rot. Bonds7

About 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide

2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide (PubChem CID 107651305) has the molecular formula C11H14ClF2NO3S and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
PubChem CID107651305
Molecular FormulaC11H14ClF2NO3S
Molecular Weight313.75 g/mol
Exact Mass313.04
IUPAC Name2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCCl)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H14ClF2NO3S/c1-8(15-19(16,17)6-5-12)9-3-2-4-10(7-9)18-11(13)14/h2-4,7-8,11,15H,5-6H2,1H3
InChIKeyYAQZBHBDOSPWMJ-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
CID 161129597
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79561039
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide (CID 107651305) is 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide is CC(NS(=O)(=O)CCCl)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide?
The InChIKey is YAQZBHBDOSPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO3S/c1-8(15-19(16,17)6-5-12)9-3-2-4-10(7-9)18-11(13)14/h2-4,7-8,11,15H,5-6H2,1H3.
What are the key properties of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide?
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide has a molecular weight of 313.75 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 107651305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).