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

C7H14BrF2NO3S — CID 107492779

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCBr)CC(F)F
InChIInChI=1S/C7H14BrF2NO3S/c1-14-4-5-15(12,13)11(3-2-8)6-7(9)10/h7H,2-6H2,1H3
InChIKeyXQJCRTMPEKSPPM-UHFFFAOYSA-N
MW310.16 g/mol
LogP0.92
Rot. Bonds8

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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide (PubChem CID 107492779) has the molecular formula C7H14BrF2NO3S and a molecular weight of 310.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
PubChem CID107492779
Molecular FormulaC7H14BrF2NO3S
Molecular Weight310.16 g/mol
Exact Mass308.98
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCBr)CC(F)F
InChIInChI=1S/C7H14BrF2NO3S/c1-14-4-5-15(12,13)11(3-2-8)6-7(9)10/h7H,2-6H2,1H3
InChIKeyXQJCRTMPEKSPPM-UHFFFAOYSA-N
XLogP0.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 107483600
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
CID 107206313
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
CID 107493803
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 107492734
N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106731282
1-bromo-4-(2-methoxyethylsulfonyl)butane
CID 43445961
N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide
CID 80675973
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide (CID 107492779) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
The InChIKey is XQJCRTMPEKSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrF2NO3S/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-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide has a molecular weight of 310.16 g/mol, XLogP of 0.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 107492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).