N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C6H11ClF3NO2S — CID 107493058

IUPACN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C6H11ClF3NO2S/c1-2-14(12,13)11(4-3-7)5-6(8,9)10/h2-5H2,1H3
InChIKeySUZXCMFPHSMBHI-UHFFFAOYSA-N
MW253.67 g/mol
LogP1.44
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107493058) has the molecular formula C6H11ClF3NO2S and a molecular weight of 253.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107493058
Molecular FormulaC6H11ClF3NO2S
Molecular Weight253.67 g/mol
Exact Mass253.02
IUPAC NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C6H11ClF3NO2S/c1-2-14(12,13)11(4-3-7)5-6(8,9)10/h2-5H2,1H3
InChIKeySUZXCMFPHSMBHI-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
N-(2-chloroethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 107493068
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
CID 103521701
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107492957
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64585550
N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107493058) is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is SUZXCMFPHSMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF3NO2S/c1-2-14(12,13)11(4-3-7)5-6(8,9)10/h2-5H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 253.67 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107493058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).