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

C7H13ClF3NO3S — CID 107493077

IUPACN-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C7H13ClF3NO3S/c1-15-4-5-16(13,14)12(3-2-8)6-7(9,10)11/h2-6H2,1H3
InChIKeyZQDWKYKSBRNOQF-UHFFFAOYSA-N
MW283.70 g/mol
LogP1.07
Rot. Bonds7

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

N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107493077) has the molecular formula C7H13ClF3NO3S and a molecular weight of 283.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107493077
Molecular FormulaC7H13ClF3NO3S
Molecular Weight283.70 g/mol
Exact Mass283.03
IUPAC NameN-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C7H13ClF3NO3S/c1-15-4-5-16(13,14)12(3-2-8)6-7(9,10)11/h2-6H2,1H3
InChIKeyZQDWKYKSBRNOQF-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107493077) is N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide is COCCS(=O)(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is ZQDWKYKSBRNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3NO3S/c1-15-4-5-16(13,14)12(3-2-8)6-7(9,10)11/h2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 283.70 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107493077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).