4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide

C22H15Cl2N3O2S — CID 19735447

IUPAC4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncnc(Cl)c1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2N3O2S/c23-18-10-12-19(13-11-18)30(28,29)27-22-20(21(24)25-14-26-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,25,26,27)
InChIKeyLQXBMJLIAABQOE-UHFFFAOYSA-N
MW456.35 g/mol
LogP5.92
Rot. Bonds5

About 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide

4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 19735447) has the molecular formula C22H15Cl2N3O2S and a molecular weight of 456.35 g/mol. Its IUPAC name is 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID19735447
Molecular FormulaC22H15Cl2N3O2S
Molecular Weight456.35 g/mol
Exact Mass455.03
IUPAC Name4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncnc(Cl)c1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2N3O2S/c23-18-10-12-19(13-11-18)30(28,29)27-22-20(21(24)25-14-26-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,25,26,27)
InChIKeyLQXBMJLIAABQOE-UHFFFAOYSA-N
XLogP5.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide 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

4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735305
N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
CID 19735300
4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735421
N-[6-chloro-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 19735304
N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide
CID 19735274
N-[5-(4-chlorophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
CID 19735478
4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide
CID 122531268
N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 67645870
4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 11280004
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-[4-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646351
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide (CID 19735447) is 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide is O=S(=O)(Nc1ncnc(Cl)c1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is LQXBMJLIAABQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2S/c23-18-10-12-19(13-11-18)30(28,29)27-22-20(21(24)25-14-26-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,25,26,27).
What are the key properties of 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 456.35 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 19735447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).