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

C7H14ClF2NO3S — CID 107492880

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C7H14ClF2NO3S/c1-14-4-5-15(12,13)11(3-2-8)6-7(9)10/h7H,2-6H2,1H3
InChIKeyWQDZTMPFRJMLRZ-UHFFFAOYSA-N
MW265.71 g/mol
LogP0.77
Rot. Bonds8

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

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide (PubChem CID 107492880) has the molecular formula C7H14ClF2NO3S and a molecular weight of 265.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
PubChem CID107492880
Molecular FormulaC7H14ClF2NO3S
Molecular Weight265.71 g/mol
Exact Mass265.04
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCl)CC(F)F
InChIInChI=1S/C7H14ClF2NO3S/c1-14-4-5-15(12,13)11(3-2-8)6-7(9)10/h7H,2-6H2,1H3
InChIKeyWQDZTMPFRJMLRZ-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 50.77
H-Bond Donors ≤ 50
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-ethyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65753743
N-(2-chloro-3-methoxypropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83060149
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methoxypropane-1-sulfonamide
CID 107492834
N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-1-sulfonamide
CID 107492844
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide
CID 107492855
N-(2-chloroethyl)-N-(2,2-difluoroethyl)ethanesulfonamide
CID 107492862
N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide
CID 107492866
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)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107493040
N-(2-chloroethyl)-2-ethoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493051
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide (CID 107492880) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
The InChIKey is WQDZTMPFRJMLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF2NO3S/c1-14-4-5-15(12,13)11(3-2-8)6-7(9)10/h7H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide has a molecular weight of 265.71 g/mol, XLogP of 0.77, 8 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-methoxyethanesulfonamide is sourced from PubChem (CID 107492880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).