2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide

C17H20N6O2S — CID 167990453

IUPAC2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide
SMILESCn1nc2ccccc2c1S(=O)(=O)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C17H20N6O2S/c1-22-17(14-4-2-3-5-15(14)20-22)26(24,25)21-16-7-6-13(12-19-16)23-10-8-18-9-11-23/h2-7,12,18H,8-11H2,1H3,(H,19,21)
InChIKeyOJUJDQGNQZRLBR-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.18
Rot. Bonds4

About 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide

2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide (PubChem CID 167990453) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide
PubChem CID167990453
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide
SMILESCn1nc2ccccc2c1S(=O)(=O)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C17H20N6O2S/c1-22-17(14-4-2-3-5-15(14)20-22)26(24,25)21-16-7-6-13(12-19-16)23-10-8-18-9-11-23/h2-7,12,18H,8-11H2,1H3,(H,19,21)
InChIKeyOJUJDQGNQZRLBR-UHFFFAOYSA-N
XLogP1.18
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide (CID 167990453) is 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide is Cn1nc2ccccc2c1S(=O)(=O)Nc1ccc(N2CCNCC2)cn1.
What is the InChIKey of 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide?
The InChIKey is OJUJDQGNQZRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-22-17(14-4-2-3-5-15(14)20-22)26(24,25)21-16-7-6-13(12-19-16)23-10-8-18-9-11-23/h2-7,12,18H,8-11H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide?
2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide is sourced from PubChem (CID 167990453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).