1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole

C19H21N3O2S — CID 175447209

IUPAC1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole
SMILESCc1ccccc1S(=O)(=O)n1nc(C2CCNCC2)c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-14-6-2-5-9-18(14)25(23,24)22-17-8-4-3-7-16(17)19(21-22)15-10-12-20-13-11-15/h2-9,15,20H,10-13H2,1H3
InChIKeyINBVPXUGUOTNTG-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole

1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole (PubChem CID 175447209) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole
PubChem CID175447209
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole
SMILESCc1ccccc1S(=O)(=O)n1nc(C2CCNCC2)c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-14-6-2-5-9-18(14)25(23,24)22-17-8-4-3-7-16(17)19(21-22)15-10-12-20-13-11-15/h2-9,15,20H,10-13H2,1H3
InChIKeyINBVPXUGUOTNTG-UHFFFAOYSA-N
XLogP3.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole (CID 175447209) is 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole is Cc1ccccc1S(=O)(=O)n1nc(C2CCNCC2)c2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole?
The InChIKey is INBVPXUGUOTNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-6-2-5-9-18(14)25(23,24)22-17-8-4-3-7-16(17)19(21-22)15-10-12-20-13-11-15/h2-9,15,20H,10-13H2,1H3.
What are the key properties of 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole?
1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole has a molecular weight of 355.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole is sourced from PubChem (CID 175447209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).