4-phenylpyrimidine-2-sulfonic acid

C10H8N2O3S — CID 140969909

IUPAC4-phenylpyrimidine-2-sulfonic acid
SMILESO=S(=O)(O)c1nccc(-c2ccccc2)n1
InChIInChI=1S/C10H8N2O3S/c13-16(14,15)10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChIKeyMMENTKJIHMFMKP-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.39
Rot. Bonds2

About 4-phenylpyrimidine-2-sulfonic acid

4-phenylpyrimidine-2-sulfonic acid (PubChem CID 140969909) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-phenylpyrimidine-2-sulfonic acid.

Molecular Properties

Compound Name4-phenylpyrimidine-2-sulfonic acid
PubChem CID140969909
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name4-phenylpyrimidine-2-sulfonic acid
SMILESO=S(=O)(O)c1nccc(-c2ccccc2)n1
InChIInChI=1S/C10H8N2O3S/c13-16(14,15)10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChIKeyMMENTKJIHMFMKP-UHFFFAOYSA-N
XLogP1.39
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-iodopyrimidine-2-sulfonic acid
CID 174391159
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-phenylpyrimidine-2-carboxamide
CID 68541218
2-phenyl-1,7-phenanthroline-6-sulfonic acid
CID 154222827
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
4-phenylpyrimidine-2-thiolate
CID 143883360
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2,4-diphenylpyrimidine;triphenylene
CID 175536318
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid
CID 161147444
4-methoxypyrimidine-2-sulfonic acid;hydrate
CID 174301054
disodium;hydride;4-methoxypyrimidine-2-sulfonic acid
CID 175577325

Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimidine-2-sulfonic acid?
The IUPAC name of 4-phenylpyrimidine-2-sulfonic acid (CID 140969909) is 4-phenylpyrimidine-2-sulfonic acid.
What is the SMILES notation for 4-phenylpyrimidine-2-sulfonic acid?
The canonical SMILES for 4-phenylpyrimidine-2-sulfonic acid is O=S(=O)(O)c1nccc(-c2ccccc2)n1.
What is the InChIKey of 4-phenylpyrimidine-2-sulfonic acid?
The InChIKey is MMENTKJIHMFMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-16(14,15)10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,13,14,15).
What are the key properties of 4-phenylpyrimidine-2-sulfonic acid?
4-phenylpyrimidine-2-sulfonic acid has a molecular weight of 236.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrimidine-2-sulfonic acid is sourced from PubChem (CID 140969909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).