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

C5H10BrF2NO2S — CID 107492708

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCBr)CC(F)F
InChIInChI=1S/C5H10BrF2NO2S/c1-12(10,11)9(3-2-6)4-5(7)8/h5H,2-4H2,1H3
InChIKeyIURWWHPCSJPASH-UHFFFAOYSA-N
MW266.11 g/mol
LogP0.91
Rot. Bonds5

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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide (PubChem CID 107492708) has the molecular formula C5H10BrF2NO2S and a molecular weight of 266.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide
PubChem CID107492708
Molecular FormulaC5H10BrF2NO2S
Molecular Weight266.11 g/mol
Exact Mass264.96
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCBr)CC(F)F
InChIInChI=1S/C5H10BrF2NO2S/c1-12(10,11)9(3-2-6)4-5(7)8/h5H,2-4H2,1H3
InChIKeyIURWWHPCSJPASH-UHFFFAOYSA-N
XLogP0.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide (CID 107492708) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide is CS(=O)(=O)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide?
The InChIKey is IURWWHPCSJPASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrF2NO2S/c1-12(10,11)9(3-2-6)4-5(7)8/h5H,2-4H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide has a molecular weight of 266.11 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)methanesulfonamide is sourced from PubChem (CID 107492708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).