[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

Analyze [2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylphenyl)sulfonylurea
CID 20975378
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
2-(2-bromophenyl)-4-methylpyrimidine
CID 21025834
2-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142786204
1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea
CID 13390072
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
[2-(hydroxyamino)phenyl]sulfonylurea
CID 174363947
2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile
CID 82014153
silver [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 10816844
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylurea
CID 139216279
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine
CID 90142068

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).