5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine

C17H13ClN2O2S — CID 1488253

IUPAC5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine
SMILESCc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H13ClN2O2S/c1-12-19-11-16(17(20-12)13-5-3-2-4-6-13)23(21,22)15-9-7-14(18)8-10-15/h2-11H,1H3
InChIKeyRQWXMGPRMFCEPK-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.94
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine

5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine (PubChem CID 1488253) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine
PubChem CID1488253
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine
SMILESCc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H13ClN2O2S/c1-12-19-11-16(17(20-12)13-5-3-2-4-6-13)23(21,22)15-9-7-14(18)8-10-15/h2-11H,1H3
InChIKeyRQWXMGPRMFCEPK-UHFFFAOYSA-N
XLogP3.94
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine 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

{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl phenyl sulfone
CID 2767411
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
5-(tert-Butylsulfonyl)-2-(4-chlorophenyl)pyrimidin-4-amine
CID 546665
4-(3-(((4-Chlorophenyl)sulfonyl)methyl)-4-nitrophenyl)-2-phenylpyrimidine
CID 1471237
4-(3-(((4-Chlorophenyl)sulfonyl)methyl)-4-nitrophenyl)-2-methylpyrimidine
CID 1471242
4-Chloro-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471761
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(4-pyridinyl)pyrimidine
CID 1475402
5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine
CID 1487974
4-(3,4-Dichlorophenyl)-5-(phenylsulfonyl)-2-(3-pyridinyl)pyrimidine
CID 1488204
5-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 1488211
4-(2,4-Dichlorophenyl)-5-(phenylsulfonyl)-2-(3-pyridinyl)pyrimidine
CID 1488235
N-{5-[(4-chlorophenyl)sulfonyl]-4-phenyl-2-pyrimidinyl}-N,N-dimethylamine
CID 1488252

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine (CID 1488253) is 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine is Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine?
The InChIKey is RQWXMGPRMFCEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-12-19-11-16(17(20-12)13-5-3-2-4-6-13)23(21,22)15-9-7-14(18)8-10-15/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine?
5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine has a molecular weight of 344.82 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methyl-4-phenylpyrimidine is sourced from PubChem (CID 1488253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).