2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide

C10H13BrF3N3O2S — CID 106338653

IUPAC2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H13BrF3N3O2S/c1-17(2)20(18,19)4-3-15-9-8(10(12,13)14)5-7(11)6-16-9/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyAABOZBPYOFKNSD-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.17
Rot. Bonds5

About 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 106338653) has the molecular formula C10H13BrF3N3O2S and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
PubChem CID106338653
Molecular FormulaC10H13BrF3N3O2S
Molecular Weight376.20 g/mol
Exact Mass374.99
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H13BrF3N3O2S/c1-17(2)20(18,19)4-3-15-9-8(10(12,13)14)5-7(11)6-16-9/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyAABOZBPYOFKNSD-UHFFFAOYSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide (CID 106338653) is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is AABOZBPYOFKNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3O2S/c1-17(2)20(18,19)4-3-15-9-8(10(12,13)14)5-7(11)6-16-9/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide?
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 376.20 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106338653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).