1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine

C22H22N4O2S — CID 25122651

IUPAC1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine
SMILESNC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1
InChIInChI=1S/C22H22N4O2S/c23-16-10-12-26(13-11-16)17-8-9-20-19(14-17)22(25-24-20)29(27,28)21-7-3-5-15-4-1-2-6-18(15)21/h1-9,14,16H,10-13,23H2,(H,24,25)
InChIKeyLCVVWJNRODQABK-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine

1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine (PubChem CID 25122651) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine
PubChem CID25122651
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine
SMILESNC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1
InChIInChI=1S/C22H22N4O2S/c23-16-10-12-26(13-11-16)17-8-9-20-19(14-17)22(25-24-20)29(27,28)21-7-3-5-15-4-1-2-6-18(15)21/h1-9,14,16H,10-13,23H2,(H,24,25)
InChIKeyLCVVWJNRODQABK-UHFFFAOYSA-N
XLogP3.48
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine?
The IUPAC name of 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine (CID 25122651) is 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine is NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1.
What is the InChIKey of 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine?
The InChIKey is LCVVWJNRODQABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c23-16-10-12-26(13-11-16)17-8-9-20-19(14-17)22(25-24-20)29(27,28)21-7-3-5-15-4-1-2-6-18(15)21/h1-9,14,16H,10-13,23H2,(H,24,25).
What are the key properties of 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine?
1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine has a molecular weight of 406.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 25122651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).