3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide

C13H26N4O2S — CID 106022099

IUPAC3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C13H26N4O2S/c1-4-7-9-11(8-5-2)16-20(18,19)12-10-17(6-3)15-13(12)14/h10-11,16H,4-9H2,1-3H3,(H2,14,15)
InChIKeyFMHZYUWNPKWAKE-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.12
Rot. Bonds9

About 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide

3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide (PubChem CID 106022099) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
PubChem CID106022099
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C13H26N4O2S/c1-4-7-9-11(8-5-2)16-20(18,19)12-10-17(6-3)15-13(12)14/h10-11,16H,4-9H2,1-3H3,(H2,14,15)
InChIKeyFMHZYUWNPKWAKE-UHFFFAOYSA-N
XLogP2.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide (CID 106022099) is 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide?
The InChIKey is FMHZYUWNPKWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-4-7-9-11(8-5-2)16-20(18,19)12-10-17(6-3)15-13(12)14/h10-11,16H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide?
3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106022099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).