4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

C19H19N7O2S — CID 74982356

IUPAC4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1c2ccc(Nc3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc2nn1C
InChIInChI=1S/C19H19N7O2S/c1-12-16-8-5-14(11-17(16)25-26(12)2)22-18-9-10-21-19(24-18)23-13-3-6-15(7-4-13)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H2,21,22,23,24)
InChIKeyWRJUIWPLARWCGQ-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.81
Rot. Bonds5

About 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 74982356) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID74982356
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1c2ccc(Nc3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc2nn1C
InChIInChI=1S/C19H19N7O2S/c1-12-16-8-5-14(11-17(16)25-26(12)2)22-18-9-10-21-19(24-18)23-13-3-6-15(7-4-13)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H2,21,22,23,24)
InChIKeyWRJUIWPLARWCGQ-UHFFFAOYSA-N
XLogP2.81
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (CID 74982356) is 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is Cc1c2ccc(Nc3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc2nn1C.
What is the InChIKey of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is WRJUIWPLARWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-12-16-8-5-14(11-17(16)25-26(12)2)22-18-9-10-21-19(24-18)23-13-3-6-15(7-4-13)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H2,21,22,23,24).
What are the key properties of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 74982356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).