N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide

C11H12BrF2NO2S — CID 80667040

IUPACN-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(CCBr)C1CC1
InChIInChI=1S/C11H12BrF2NO2S/c12-5-6-15(9-2-3-9)18(16,17)11-4-1-8(13)7-10(11)14/h1,4,7,9H,2-3,5-6H2
InChIKeyLNDCSPAGXLKFDL-UHFFFAOYSA-N
MW340.19 g/mol
LogP2.51
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide

N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide (PubChem CID 80667040) has the molecular formula C11H12BrF2NO2S and a molecular weight of 340.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
PubChem CID80667040
Molecular FormulaC11H12BrF2NO2S
Molecular Weight340.19 g/mol
Exact Mass338.97
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(CCBr)C1CC1
InChIInChI=1S/C11H12BrF2NO2S/c12-5-6-15(9-2-3-9)18(16,17)11-4-1-8(13)7-10(11)14/h1,4,7,9H,2-3,5-6H2
InChIKeyLNDCSPAGXLKFDL-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 52.51
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-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide (CID 80667040) is N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide is O=S(=O)(c1ccc(F)cc1F)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
The InChIKey is LNDCSPAGXLKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2S/c12-5-6-15(9-2-3-9)18(16,17)11-4-1-8(13)7-10(11)14/h1,4,7,9H,2-3,5-6H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide?
N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide has a molecular weight of 340.19 g/mol, XLogP of 2.51, 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-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 80667040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).