4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C20H20N6O2S — CID 70684897

IUPAC4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C20H20N6O2S/c1-2-13-26-18-6-4-3-5-16(18)19(25-26)17-11-12-22-20(24-17)23-14-7-9-15(10-8-14)29(21,27)28/h3-12H,2,13H2,1H3,(H2,21,27,28)(H,22,23,24)
InChIKeyVRHNNRWRKNFLEX-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.29
Rot. Bonds6

About 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 70684897) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID70684897
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21
InChIInChI=1S/C20H20N6O2S/c1-2-13-26-18-6-4-3-5-16(18)19(25-26)17-11-12-22-20(24-17)23-14-7-9-15(10-8-14)29(21,27)28/h3-12H,2,13H2,1H3,(H2,21,27,28)(H,22,23,24)
InChIKeyVRHNNRWRKNFLEX-UHFFFAOYSA-N
XLogP3.29
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(1-propylindazol-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 70684897) is 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is CCCn1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccccc21.
What is the InChIKey of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is VRHNNRWRKNFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-2-13-26-18-6-4-3-5-16(18)19(25-26)17-11-12-22-20(24-17)23-14-7-9-15(10-8-14)29(21,27)28/h3-12H,2,13H2,1H3,(H2,21,27,28)(H,22,23,24).
What are the key properties of 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 408.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-propylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 70684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).