5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine

C17H12Cl2N2O2S — CID 1488216

IUPAC5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine
SMILESCc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H12Cl2N2O2S/c1-11-20-10-16(24(22,23)13-5-3-2-4-6-13)17(21-11)14-8-7-12(18)9-15(14)19/h2-10H,1H3
InChIKeyPDHXEHPBQZRXBK-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.59
Rot. Bonds3

About 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine

5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine (PubChem CID 1488216) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine
PubChem CID1488216
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine
SMILESCc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H12Cl2N2O2S/c1-11-20-10-16(24(22,23)13-5-3-2-4-6-13)17(21-11)14-8-7-12(18)9-15(14)19/h2-10H,1H3
InChIKeyPDHXEHPBQZRXBK-UHFFFAOYSA-N
XLogP4.59
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine 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 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine?
The IUPAC name of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine (CID 1488216) is 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine?
The canonical SMILES for 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine is Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine?
The InChIKey is PDHXEHPBQZRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-11-20-10-16(24(22,23)13-5-3-2-4-6-13)17(21-11)14-8-7-12(18)9-15(14)19/h2-10H,1H3.
What are the key properties of 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine?
5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine has a molecular weight of 379.27 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-methylpyrimidine is sourced from PubChem (CID 1488216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).