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

C15H16F3N3O3S — CID 71795173

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cc(=O)n(CCNS(=O)(=O)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3O3S/c1-2-11-9-14(22)21(10-19-11)8-7-20-25(23,24)13-6-4-3-5-12(13)15(16,17)18/h3-6,9-10,20H,2,7-8H2,1H3
InChIKeyJXFCDHUBFSFVDC-UHFFFAOYSA-N
MW375.37 g/mol
LogP1.80
Rot. Bonds6

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

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 71795173) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID71795173
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cc(=O)n(CCNS(=O)(=O)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3O3S/c1-2-11-9-14(22)21(10-19-11)8-7-20-25(23,24)13-6-4-3-5-12(13)15(16,17)18/h3-6,9-10,20H,2,7-8H2,1H3
InChIKeyJXFCDHUBFSFVDC-UHFFFAOYSA-N
XLogP1.80
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 71795173) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide is CCc1cc(=O)n(CCNS(=O)(=O)c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JXFCDHUBFSFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-2-11-9-14(22)21(10-19-11)8-7-20-25(23,24)13-6-4-3-5-12(13)15(16,17)18/h3-6,9-10,20H,2,7-8H2,1H3.
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71795173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).