N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide

C11H14F3N3O2S — CID 71797009

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide
SMILESCc1cc(C(F)(F)F)nc(CCNS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H14F3N3O2S/c1-7-6-9(11(12,13)14)17-10(16-7)4-5-15-20(18,19)8-2-3-8/h6,8,15H,2-5H2,1H3
InChIKeyWTBPIKYCEQIXHX-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.43
Rot. Bonds5

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide (PubChem CID 71797009) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide
PubChem CID71797009
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide
SMILESCc1cc(C(F)(F)F)nc(CCNS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H14F3N3O2S/c1-7-6-9(11(12,13)14)17-10(16-7)4-5-15-20(18,19)8-2-3-8/h6,8,15H,2-5H2,1H3
InChIKeyWTBPIKYCEQIXHX-UHFFFAOYSA-N
XLogP1.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)propane-2-sulfonamide
CID 71797088
2-(1-Methanesulfonylpyrrolidin-2-YL)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 110259453
2-[4-Methyl-6-(Trifluoromethyl)Pyrimidin-2-Yl]Ethanamine Hydrochloride
CID 72210859
N-[2-(isobutylsulfonyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 50956927
4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 75430003
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclopropanesulfonamide
CID 121019486
1-Cyclohex-3-en-1-ylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]urea
CID 20432146
(2R)-2-amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
CID 70945864
2-Amino-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
CID 70945866
Ethyl trifluoromethanesulfonate;2,4,6-trimethylpyrimidine
CID 91569075
3-[[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylsulfamoyl]propanoic acid
CID 124027801

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide (CID 71797009) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide is Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is WTBPIKYCEQIXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-7-6-9(11(12,13)14)17-10(16-7)4-5-15-20(18,19)8-2-3-8/h6,8,15H,2-5H2,1H3.
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 71797009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).