N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C14H14F3N3O3S — CID 71795150

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(=O)n(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H14F3N3O3S/c1-10-7-13(21)20(9-18-10)6-5-19-24(22,23)12-4-2-3-11(8-12)14(15,16)17/h2-4,7-9,19H,5-6H2,1H3
InChIKeyPXPUYIZABKXVLK-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.55
Rot. Bonds5

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71795150) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71795150
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(=O)n(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H14F3N3O3S/c1-10-7-13(21)20(9-18-10)6-5-19-24(22,23)12-4-2-3-11(8-12)14(15,16)17/h2-4,7-9,19H,5-6H2,1H3
InChIKeyPXPUYIZABKXVLK-UHFFFAOYSA-N
XLogP1.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71795146
CID 71795146
CID 56724555
CID 56724555
CID 56764798
CID 56764798
CID 71795173
CID 71795173
CID 71795235
CID 71795235
CID 72717239
CID 72717239
CID 86263715
CID 86263715
CID 90101225
CID 90101225
CID 2488599
CID 2488599
CID 22432461
CID 22432461
CID 24389659
CID 24389659
CID 45841707
CID 45841707

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 71795150) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cc(=O)n(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PXPUYIZABKXVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-10-7-13(21)20(9-18-10)6-5-19-24(22,23)12-4-2-3-11(8-12)14(15,16)17/h2-4,7-9,19H,5-6H2,1H3.
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71795150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).