N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C9H17BrF3NO2S — CID 107492957

IUPACN-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H17BrF3NO2S/c1-8(2,3)7-17(15,16)14(5-4-10)6-9(11,12)13/h4-7H2,1-3H3
InChIKeyUVHNAWURHGWNPS-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.62
Rot. Bonds5

About N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 107492957) has the molecular formula C9H17BrF3NO2S and a molecular weight of 340.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID107492957
Molecular FormulaC9H17BrF3NO2S
Molecular Weight340.21 g/mol
Exact Mass339.01
IUPAC NameN-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H17BrF3NO2S/c1-8(2,3)7-17(15,16)14(5-4-10)6-9(11,12)13/h4-7H2,1-3H3
InChIKeyUVHNAWURHGWNPS-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.62
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-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
CID 80672142
N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107492929
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058541
N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521761
N-(2-bromoethyl)-3,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492988
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107483761
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107492994
N-(2-bromoethyl)-3,4-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492915
N-(2-bromoethyl)-4-chloro-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-sulfonamide
CID 114172631
N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107492981

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 107492957) is N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(C)(C)CS(=O)(=O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is UVHNAWURHGWNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrF3NO2S/c1-8(2,3)7-17(15,16)14(5-4-10)6-9(11,12)13/h4-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 107492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).