5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine

C17H14N2O2S — CID 1488217

IUPAC5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine
SMILESCc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O2S/c1-13-18-12-16(17(19-13)14-8-4-2-5-9-14)22(20,21)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyMPDDDAPQTMRCCQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.28
Rot. Bonds3

About 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine

5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine (PubChem CID 1488217) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine
PubChem CID1488217
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine
SMILESCc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O2S/c1-13-18-12-16(17(19-13)14-8-4-2-5-9-14)22(20,21)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyMPDDDAPQTMRCCQ-UHFFFAOYSA-N
XLogP3.28
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine?
The IUPAC name of 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine (CID 1488217) is 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine?
The canonical SMILES for 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine is Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine?
The InChIKey is MPDDDAPQTMRCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-13-18-12-16(17(19-13)14-8-4-2-5-9-14)22(20,21)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine?
5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine has a molecular weight of 310.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methyl-4-phenylpyrimidine is sourced from PubChem (CID 1488217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).