3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide

C15H15N5O2S — CID 155503985

IUPAC3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide
SMILESCCc1nccc(-c2nccn2-c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C15H15N5O2S/c1-2-14-17-7-6-13(19-14)15-18-8-9-20(15)11-4-3-5-12(10-11)23(16,21)22/h3-10H,2H2,1H3,(H2,16,21,22)
InChIKeyYJOQOWOPXQDYEM-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.54
Rot. Bonds4

About 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide

3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide (PubChem CID 155503985) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide
PubChem CID155503985
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide
SMILESCCc1nccc(-c2nccn2-c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C15H15N5O2S/c1-2-14-17-7-6-13(19-14)15-18-8-9-20(15)11-4-3-5-12(10-11)23(16,21)22/h3-10H,2H2,1H3,(H2,16,21,22)
InChIKeyYJOQOWOPXQDYEM-UHFFFAOYSA-N
XLogP1.54
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide (CID 155503985) is 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide is CCc1nccc(-c2nccn2-c2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is YJOQOWOPXQDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-2-14-17-7-6-13(19-14)15-18-8-9-20(15)11-4-3-5-12(10-11)23(16,21)22/h3-10H,2H2,1H3,(H2,16,21,22).
What are the key properties of 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide?
3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155503985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).