N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide

C10H13BrFNO2S — CID 80675750

IUPACN-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(CCBr)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-2-13(8-7-11)16(14,15)10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3
InChIKeyABHWTUOWFINRAB-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.23
Rot. Bonds5

About N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide

N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 80675750) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID80675750
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(CCBr)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-2-13(8-7-11)16(14,15)10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3
InChIKeyABHWTUOWFINRAB-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 54987311
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519
N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 114242897
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide (CID 80675750) is N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide is CCN(CCBr)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is ABHWTUOWFINRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-2-13(8-7-11)16(14,15)10-6-4-3-5-9(10)12/h3-6H,2,7-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide?
N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.23, 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-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 80675750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).