3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine

C14H12N2O2S — CID 11033000

IUPAC3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine
SMILESCc1ccc(S(=O)(=O)c2cc3cccn3cn2)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-4-6-13(7-5-11)19(17,18)14-9-12-3-2-8-16(12)10-15-14/h2-10H,1H3
InChIKeyBZKWJXSPTMRDGK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.48
Rot. Bonds2

About 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine

3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine (PubChem CID 11033000) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine
PubChem CID11033000
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine
SMILESCc1ccc(S(=O)(=O)c2cc3cccn3cn2)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-4-6-13(7-5-11)19(17,18)14-9-12-3-2-8-16(12)10-15-14/h2-10H,1H3
InChIKeyBZKWJXSPTMRDGK-UHFFFAOYSA-N
XLogP2.48
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine?
The IUPAC name of 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine (CID 11033000) is 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine is Cc1ccc(S(=O)(=O)c2cc3cccn3cn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine?
The InChIKey is BZKWJXSPTMRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-11-4-6-13(7-5-11)19(17,18)14-9-12-3-2-8-16(12)10-15-14/h2-10H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine?
3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine has a molecular weight of 272.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 11033000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).