N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide

C6H10BrF2NO2S — CID 80667583

IUPACN-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCBr)C1CC1
InChIInChI=1S/C6H10BrF2NO2S/c7-3-4-10(5-1-2-5)13(11,12)6(8)9/h5-6H,1-4H2
InChIKeySVWDKTXXTFYVFX-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.40
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide

N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide (PubChem CID 80667583) has the molecular formula C6H10BrF2NO2S and a molecular weight of 278.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
PubChem CID80667583
Molecular FormulaC6H10BrF2NO2S
Molecular Weight278.12 g/mol
Exact Mass276.96
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCBr)C1CC1
InChIInChI=1S/C6H10BrF2NO2S/c7-3-4-10(5-1-2-5)13(11,12)6(8)9/h5-6H,1-4H2
InChIKeySVWDKTXXTFYVFX-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.40
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-cyclopropyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide (CID 80667583) is N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide is O=S(=O)(C(F)F)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
The InChIKey is SVWDKTXXTFYVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2NO2S/c7-3-4-10(5-1-2-5)13(11,12)6(8)9/h5-6H,1-4H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
N-(2-bromoethyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide has a molecular weight of 278.12 g/mol, XLogP of 1.40, 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-cyclopropyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 80667583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).