2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

C20H21N7O2S — CID 10202534

IUPAC2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2nccc(N(C)c3ccc4c(C)[nH]nc4c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C20H21N7O2S/c1-12-4-5-14(10-18(12)30(21,28)29)23-20-22-9-8-19(24-20)27(3)15-6-7-16-13(2)25-26-17(16)11-15/h4-11H,1-3H3,(H,25,26)(H2,21,28,29)(H,22,23,24)
InChIKeyBRBRXNGJZMGEHY-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 10202534) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID10202534
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2nccc(N(C)c3ccc4c(C)[nH]nc4c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C20H21N7O2S/c1-12-4-5-14(10-18(12)30(21,28)29)23-20-22-9-8-19(24-20)27(3)15-6-7-16-13(2)25-26-17(16)11-15/h4-11H,1-3H3,(H,25,26)(H2,21,28,29)(H,22,23,24)
InChIKeyBRBRXNGJZMGEHY-UHFFFAOYSA-N
XLogP3.13
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (CID 10202534) is 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)[nH]nc4c3)n2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is BRBRXNGJZMGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-12-4-5-14(10-18(12)30(21,28)29)23-20-22-9-8-19(24-20)27(3)15-6-7-16-13(2)25-26-17(16)11-15/h4-11H,1-3H3,(H,25,26)(H2,21,28,29)(H,22,23,24).
What are the key properties of 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?
2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 10202534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).