4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

C17H16N4O3S — CID 11667571

IUPAC4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H16N4O3S/c1-24-14-6-2-12(3-7-14)16-10-11-19-17(21-16)20-13-4-8-15(9-5-13)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyWMMHYPDJXGCLJQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.54
Rot. Bonds5

About 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11667571) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11667571
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H16N4O3S/c1-24-14-6-2-12(3-7-14)16-10-11-19-17(21-16)20-13-4-8-15(9-5-13)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyWMMHYPDJXGCLJQ-UHFFFAOYSA-N
XLogP2.54
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]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-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-[[4-(4-propylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11660670
4-[[4-(4-cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11688891
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
4-[[4-(2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 22273547
[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 69133156
N-[4-[4-[(R)-amino-(4-fluorophenyl)methyl]piperidin-1-yl]sulfonylphenyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 59242865
4-[[5-bromo-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58890907
4-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 90438115
4-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10114338

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 11667571) is 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is COc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is WMMHYPDJXGCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-14-6-2-12(3-7-14)16-10-11-19-17(21-16)20-13-4-8-15(9-5-13)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 356.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11667571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).