3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole

C23H23N3O2S — CID 16750338

IUPAC3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc5ccccc45)cc23)CC1
InChIInChI=1S/C23H23N3O2S/c1-26-13-11-17(12-14-26)23-20-15-18(9-10-21(20)24-25-23)29(27,28)22-8-4-6-16-5-2-3-7-19(16)22/h2-10,15,17H,11-14H2,1H3,(H,24,25)
InChIKeyRLVDJFWXVLBZCY-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.36
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole

3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole (PubChem CID 16750338) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole
PubChem CID16750338
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc5ccccc45)cc23)CC1
InChIInChI=1S/C23H23N3O2S/c1-26-13-11-17(12-14-26)23-20-15-18(9-10-21(20)24-25-23)29(27,28)22-8-4-6-16-5-2-3-7-19(16)22/h2-10,15,17H,11-14H2,1H3,(H,24,25)
InChIKeyRLVDJFWXVLBZCY-UHFFFAOYSA-N
XLogP4.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole (CID 16750338) is 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole is CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc5ccccc45)cc23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole?
The InChIKey is RLVDJFWXVLBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-26-13-11-17(12-14-26)23-20-15-18(9-10-21(20)24-25-23)29(27,28)22-8-4-6-16-5-2-3-7-19(16)22/h2-10,15,17H,11-14H2,1H3,(H,24,25).
What are the key properties of 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole?
3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole has a molecular weight of 405.52 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-5-naphthalen-1-ylsulfonyl-2H-indazole is sourced from PubChem (CID 16750338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).