2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide

C21H23N3O3S — CID 56724553

IUPAC2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1C
InChIInChI=1S/C21H23N3O3S/c1-15-11-17(3)20(12-16(15)2)28(26,27)23-9-10-24-14-22-19(13-21(24)25)18-7-5-4-6-8-18/h4-8,11-14,23H,9-10H2,1-3H3
InChIKeyZDXZPWKABHARGJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.81
Rot. Bonds6

About 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide

2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 56724553) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
PubChem CID56724553
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1C
InChIInChI=1S/C21H23N3O3S/c1-15-11-17(3)20(12-16(15)2)28(26,27)23-9-10-24-14-22-19(13-21(24)25)18-7-5-4-6-8-18/h4-8,11-14,23H,9-10H2,1-3H3
InChIKeyZDXZPWKABHARGJ-UHFFFAOYSA-N
XLogP2.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide (CID 56724553) is 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ZDXZPWKABHARGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-11-17(3)20(12-16(15)2)28(26,27)23-9-10-24-14-22-19(13-21(24)25)18-7-5-4-6-8-18/h4-8,11-14,23H,9-10H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56724553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).