N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide

C14H20N4O2S — CID 126835078

IUPACN-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc2[nH]ncc2c1)N1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-21(20,18-8-2-1-3-9-18)16-7-6-12-4-5-14-13(10-12)11-15-17-14/h4-5,10-11,16H,1-3,6-9H2,(H,15,17)
InChIKeyYJAGISRCNXUKLJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide

N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 126835078) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
PubChem CID126835078
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc2[nH]ncc2c1)N1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-21(20,18-8-2-1-3-9-18)16-7-6-12-4-5-14-13(10-12)11-15-17-14/h4-5,10-11,16H,1-3,6-9H2,(H,15,17)
InChIKeyYJAGISRCNXUKLJ-UHFFFAOYSA-N
XLogP1.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide (CID 126835078) is N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide is O=S(=O)(NCCc1ccc2[nH]ncc2c1)N1CCCCC1.
What is the InChIKey of N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is YJAGISRCNXUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-21(20,18-8-2-1-3-9-18)16-7-6-12-4-5-14-13(10-12)11-15-17-14/h4-5,10-11,16H,1-3,6-9H2,(H,15,17).
What are the key properties of N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide?
N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-5-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 126835078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).