N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C11H14BrF3N2O2S — CID 107492929

IUPACN-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H14BrF3N2O2S/c12-5-7-17(9-11(13,14)15)20(18,19)8-4-10-3-1-2-6-16-10/h1-3,6H,4-5,7-9H2
InChIKeyBISUQTHWVGDJRF-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.21
Rot. Bonds7

About N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107492929) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107492929
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC NameN-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C11H14BrF3N2O2S/c12-5-7-17(9-11(13,14)15)20(18,19)8-4-10-3-1-2-6-16-10/h1-3,6H,4-5,7-9H2
InChIKeyBISUQTHWVGDJRF-UHFFFAOYSA-N
XLogP2.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-pyridin-2-ylethylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265465
N-(3-bromopropyl)-N-propan-2-yl-2-pyridin-2-ylethanesulfonamide
CID 80673058
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61067284
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107492994
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide
CID 63400421
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107492929) is N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is O=S(=O)(CCc1ccccn1)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is BISUQTHWVGDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c12-5-7-17(9-11(13,14)15)20(18,19)8-4-10-3-1-2-6-16-10/h1-3,6H,4-5,7-9H2.
What are the key properties of N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 375.21 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107492929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).