6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide

C14H20N4O2S — CID 136573761

IUPAC6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)nc2)n1
InChIInChI=1S/C14H20N4O2S/c1-5-18-9-8-13(16-18)17-21(19,20)11-6-7-12(15-10-11)14(2,3)4/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyOENJMJJLFULJTF-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.40
Rot. Bonds4

About 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide

6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide (PubChem CID 136573761) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide
PubChem CID136573761
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)nc2)n1
InChIInChI=1S/C14H20N4O2S/c1-5-18-9-8-13(16-18)17-21(19,20)11-6-7-12(15-10-11)14(2,3)4/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyOENJMJJLFULJTF-UHFFFAOYSA-N
XLogP2.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide (CID 136573761) is 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide is CCn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)nc2)n1.
What is the InChIKey of 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is OENJMJJLFULJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-18-9-8-13(16-18)17-21(19,20)11-6-7-12(15-10-11)14(2,3)4/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide?
6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 136573761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).