6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

C₁₄H₁₉BrN₄O₂S — CID 121326125

About 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 121326125) has the molecular formula C₁₄H₁₉BrN₄O₂S and a molecular weight of 387.30 g/mol. Its IUPAC name is 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

• Compound Name: 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
• PubChem CID: 121326125
• Molecular Formula: C₁₄H₁₉BrN₄O₂S
• Molecular Weight: 387.30 g/mol
• Exact Mass: 386.04
• IUPAC Name: 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
• SMILES: CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O
• InChI: InChI=1S/C14H19BrN4O2S/c1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h6-8H,4-5,9H2,1-3H3,(H,16,17)
• InChIKey: BIIWYCXHBSDMMY-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.30
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The IUPAC name of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 121326125) is 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

What is the SMILES notation for 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The canonical SMILES for 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.

What is the InChIKey of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The InChIKey is BIIWYCXHBSDMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2S/c1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h6-8H,4-5,9H2,1-3H3,(H,16,17).

What are the key properties of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?

6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 387.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 121326125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121326125 — identifiers, structure, computed properties (public domain)

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