3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

C19H19N7O2S — CID 24949548

IUPAC3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)
InChIKeyRJSWFGJQETZYIH-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.52
Rot. Bonds5

About 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 24949548) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID24949548
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)
InChIKeyRJSWFGJQETZYIH-UHFFFAOYSA-N
XLogP2.52
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (CID 24949548) is 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is RJSWFGJQETZYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23).
What are the key properties of 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 24949548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).