N-butyl-1-ethylpyrazole-4-sulfonamide

C9H17N3O2S — CID 6466889

IUPACN-butyl-1-ethylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C9H17N3O2S/c1-3-5-6-11-15(13,14)9-7-10-12(4-2)8-9/h7-8,11H,3-6H2,1-2H3
InChIKeyISNBMGKJEGQSHO-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.98
Rot. Bonds6

About N-butyl-1-ethylpyrazole-4-sulfonamide

N-butyl-1-ethylpyrazole-4-sulfonamide (PubChem CID 6466889) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-butyl-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-1-ethylpyrazole-4-sulfonamide
PubChem CID6466889
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-butyl-1-ethylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C9H17N3O2S/c1-3-5-6-11-15(13,14)9-7-10-12(4-2)8-9/h7-8,11H,3-6H2,1-2H3
InChIKeyISNBMGKJEGQSHO-UHFFFAOYSA-N
XLogP0.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-butyl-1-ethylpyrazole-4-sulfonamide (CID 6466889) is N-butyl-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-1-ethylpyrazole-4-sulfonamide is CCCCNS(=O)(=O)c1cnn(CC)c1.
What is the InChIKey of N-butyl-1-ethylpyrazole-4-sulfonamide?
The InChIKey is ISNBMGKJEGQSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-5-6-11-15(13,14)9-7-10-12(4-2)8-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-butyl-1-ethylpyrazole-4-sulfonamide?
N-butyl-1-ethylpyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).