1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine

C23H24N4O2S — CID 24771185

IUPAC1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine
SMILESO=S(=O)(c1cccc2ccccc12)n1ncc2ccc(NCC3CCNCC3)cc21
InChIInChI=1S/C23H24N4O2S/c28-30(29,23-7-3-5-18-4-1-2-6-21(18)23)27-22-14-20(9-8-19(22)16-26-27)25-15-17-10-12-24-13-11-17/h1-9,14,16-17,24-25H,10-13,15H2
InChIKeyRBQOGDHSDMIBCS-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.84
Rot. Bonds5

About 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine

1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine (PubChem CID 24771185) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine
PubChem CID24771185
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine
SMILESO=S(=O)(c1cccc2ccccc12)n1ncc2ccc(NCC3CCNCC3)cc21
InChIInChI=1S/C23H24N4O2S/c28-30(29,23-7-3-5-18-4-1-2-6-21(18)23)27-22-14-20(9-8-19(22)16-26-27)25-15-17-10-12-24-13-11-17/h1-9,14,16-17,24-25H,10-13,15H2
InChIKeyRBQOGDHSDMIBCS-UHFFFAOYSA-N
XLogP3.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine (CID 24771185) is 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine is O=S(=O)(c1cccc2ccccc12)n1ncc2ccc(NCC3CCNCC3)cc21.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine?
The InChIKey is RBQOGDHSDMIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c28-30(29,23-7-3-5-18-4-1-2-6-21(18)23)27-22-14-20(9-8-19(22)16-26-27)25-15-17-10-12-24-13-11-17/h1-9,14,16-17,24-25H,10-13,15H2.
What are the key properties of 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine?
1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine has a molecular weight of 420.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)indazol-6-amine is sourced from PubChem (CID 24771185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).