[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea

C12H12N4O3S — CID 118046361

IUPAC[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
SMILESCc1ccnc(-c2ccccc2S(=O)(=O)NC(N)=O)n1
InChIInChI=1S/C12H12N4O3S/c1-8-6-7-14-11(15-8)9-4-2-3-5-10(9)20(18,19)16-12(13)17/h2-7H,1H3,(H3,13,16,17)
InChIKeyZQSAMVOZCKEULD-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.81
Rot. Bonds3

About [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea

[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea (PubChem CID 118046361) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea.

Molecular Properties

Compound Name[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
PubChem CID118046361
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
SMILESCc1ccnc(-c2ccccc2S(=O)(=O)NC(N)=O)n1
InChIInChI=1S/C12H12N4O3S/c1-8-6-7-14-11(15-8)9-4-2-3-5-10(9)20(18,19)16-12(13)17/h2-7H,1H3,(H3,13,16,17)
InChIKeyZQSAMVOZCKEULD-UHFFFAOYSA-N
XLogP0.81
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea?
The IUPAC name of [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea (CID 118046361) is [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea.
What is the SMILES notation for [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea?
The canonical SMILES for [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea is Cc1ccnc(-c2ccccc2S(=O)(=O)NC(N)=O)n1.
What is the InChIKey of [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea?
The InChIKey is ZQSAMVOZCKEULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-8-6-7-14-11(15-8)9-4-2-3-5-10(9)20(18,19)16-12(13)17/h2-7H,1H3,(H3,13,16,17).
What are the key properties of [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea?
[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea has a molecular weight of 292.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea is sourced from PubChem (CID 118046361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).