3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole

C23H23N3O2S — CID 143426591

IUPAC3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
SMILESO=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(CC3CCNCC3)cc12
InChIInChI=1S/C23H23N3O2S/c27-29(28,22-7-3-5-18-4-1-2-6-19(18)22)23-20-15-17(8-9-21(20)25-26-23)14-16-10-12-24-13-11-16/h1-9,15-16,24H,10-14H2,(H,25,26)
InChIKeyXQSYIKQMYPSHJL-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.09
Rot. Bonds4

About 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole

3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole (PubChem CID 143426591) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
PubChem CID143426591
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
SMILESO=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(CC3CCNCC3)cc12
InChIInChI=1S/C23H23N3O2S/c27-29(28,22-7-3-5-18-4-1-2-6-19(18)22)23-20-15-17(8-9-21(20)25-26-23)14-16-10-12-24-13-11-16/h1-9,15-16,24H,10-14H2,(H,25,26)
InChIKeyXQSYIKQMYPSHJL-UHFFFAOYSA-N
XLogP4.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole?
The IUPAC name of 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole (CID 143426591) is 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole.
What is the SMILES notation for 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole?
The canonical SMILES for 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole is O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(CC3CCNCC3)cc12.
What is the InChIKey of 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole?
The InChIKey is XQSYIKQMYPSHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-29(28,22-7-3-5-18-4-1-2-6-19(18)22)23-20-15-17(8-9-21(20)25-26-23)14-16-10-12-24-13-11-16/h1-9,15-16,24H,10-14H2,(H,25,26).
What are the key properties of 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole?
3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole has a molecular weight of 405.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole is sourced from PubChem (CID 143426591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).