3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide

C22H17ClN4O2S — CID 57468936

IUPAC3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(Cl)cc2)nc(-c2ccnc(-c3cccc(S(N)(=O)=O)c3)c2)n1
InChIInChI=1S/C22H17ClN4O2S/c1-14-11-21(15-5-7-18(23)8-6-15)27-22(26-14)17-9-10-25-20(13-17)16-3-2-4-19(12-16)30(24,28)29/h2-13H,1H3,(H2,24,28,29)
InChIKeyQZEVTHNSLNVCNN-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.48
Rot. Bonds4

About 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide

3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide (PubChem CID 57468936) has the molecular formula C22H17ClN4O2S and a molecular weight of 436.92 g/mol. Its IUPAC name is 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
PubChem CID57468936
Molecular FormulaC22H17ClN4O2S
Molecular Weight436.92 g/mol
Exact Mass436.08
IUPAC Name3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(Cl)cc2)nc(-c2ccnc(-c3cccc(S(N)(=O)=O)c3)c2)n1
InChIInChI=1S/C22H17ClN4O2S/c1-14-11-21(15-5-7-18(23)8-6-15)27-22(26-14)17-9-10-25-20(13-17)16-3-2-4-19(12-16)30(24,28)29/h2-13H,1H3,(H2,24,28,29)
InChIKeyQZEVTHNSLNVCNN-UHFFFAOYSA-N
XLogP4.48
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide 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 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide (CID 57468936) is 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide is Cc1cc(-c2ccc(Cl)cc2)nc(-c2ccnc(-c3cccc(S(N)(=O)=O)c3)c2)n1.
What is the InChIKey of 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is QZEVTHNSLNVCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2S/c1-14-11-21(15-5-7-18(23)8-6-15)27-22(26-14)17-9-10-25-20(13-17)16-3-2-4-19(12-16)30(24,28)29/h2-13H,1H3,(H2,24,28,29).
What are the key properties of 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 436.92 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 57468936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).