N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide

C12H18F3N3O2S — CID 71797010

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2S/c1-3-4-7-21(19,20)16-6-5-11-17-9(2)8-10(18-11)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyLAWYHLBKGKBAQT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.07
Rot. Bonds7

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide (PubChem CID 71797010) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide
PubChem CID71797010
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2S/c1-3-4-7-21(19,20)16-6-5-11-17-9(2)8-10(18-11)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyLAWYHLBKGKBAQT-UHFFFAOYSA-N
XLogP2.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)propane-2-sulfonamide
CID 71797088
4-Methyl-2-(1-methylsulfonylpyrrolidin-2-yl)-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
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}cyclopropanesulfonamide
CID 71797009
2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 72916903
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide (CID 71797010) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide?
The InChIKey is LAWYHLBKGKBAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-3-4-7-21(19,20)16-6-5-11-17-9(2)8-10(18-11)12(13,14)15/h8,16H,3-7H2,1-2H3.
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]butane-1-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.07, 7 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]butane-1-sulfonamide is sourced from PubChem (CID 71797010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).