N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide

C15H16F3N3O3S — CID 71795223

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncn(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c(=O)c1C
InChIInChI=1S/C15H16F3N3O3S/c1-10-11(2)19-9-21(14(10)22)8-7-20-25(23,24)13-6-4-3-5-12(13)15(16,17)18/h3-6,9,20H,7-8H2,1-2H3
InChIKeyURCBRTJPEBSODU-UHFFFAOYSA-N
MW375.37 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 71795223) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID71795223
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncn(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c(=O)c1C
InChIInChI=1S/C15H16F3N3O3S/c1-10-11(2)19-9-21(14(10)22)8-7-20-25(23,24)13-6-4-3-5-12(13)15(16,17)18/h3-6,9,20H,7-8H2,1-2H3
InChIKeyURCBRTJPEBSODU-UHFFFAOYSA-N
XLogP1.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
CID 71795219
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 119101283
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
3-[3-(methylamino)propyl]-5-(trifluoromethyl)quinazolin-4-one
CID 117263751
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264
1-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethyl]triazole-4,5-dicarboxylic acid
CID 71517505

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 71795223) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide is Cc1ncn(CCNS(=O)(=O)c2ccccc2C(F)(F)F)c(=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is URCBRTJPEBSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-10-11(2)19-9-21(14(10)22)8-7-20-25(23,24)13-6-4-3-5-12(13)15(16,17)18/h3-6,9,20H,7-8H2,1-2H3.
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71795223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).