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

C14H14F3N3O3S — CID 71795235

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1cncn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H14F3N3O3S/c1-10-8-18-9-20(13(10)21)7-6-19-24(22,23)12-4-2-11(3-5-12)14(15,16)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyIHINZTJUTSLBQL-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.55
Rot. Bonds5

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

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71795235) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71795235
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1cncn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H14F3N3O3S/c1-10-8-18-9-20(13(10)21)7-6-19-24(22,23)12-4-2-11(3-5-12)14(15,16)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyIHINZTJUTSLBQL-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 71795235) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is Cc1cncn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IHINZTJUTSLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-10-8-18-9-20(13(10)21)7-6-19-24(22,23)12-4-2-11(3-5-12)14(15,16)17/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(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-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71795235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).