N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide

C8H16ClF2NO3S — CID 107492855

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C8H16ClF2NO3S/c1-2-15-5-6-16(13,14)12(4-3-9)7-8(10)11/h8H,2-7H2,1H3
InChIKeyCAXQXWBJCFYXCN-UHFFFAOYSA-N
MW279.74 g/mol
LogP1.16
Rot. Bonds9

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide (PubChem CID 107492855) has the molecular formula C8H16ClF2NO3S and a molecular weight of 279.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide
PubChem CID107492855
Molecular FormulaC8H16ClF2NO3S
Molecular Weight279.74 g/mol
Exact Mass279.05
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C8H16ClF2NO3S/c1-2-15-5-6-16(13,14)12(4-3-9)7-8(10)11/h8H,2-7H2,1H3
InChIKeyCAXQXWBJCFYXCN-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877382
3-chloro-N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79586272
N-(2-chloro-3-methoxypropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83060149
N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide
CID 107492797
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methoxypropane-1-sulfonamide
CID 107492834
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492880
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-4-sulfonamide
CID 107492886
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxyethanesulfonamide
CID 107492894
N-(2-chloroethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107493030
N-(2-chloroethyl)-2-ethoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493051
N-(2-chloroethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493077
N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493088

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide (CID 107492855) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide?
The InChIKey is CAXQXWBJCFYXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClF2NO3S/c1-2-15-5-6-16(13,14)12(4-3-9)7-8(10)11/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide has a molecular weight of 279.74 g/mol, XLogP of 1.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 107492855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).