N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide

C13H18N4O2S — CID 25037488

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)11-8-12(17(4)15-11)16-20(18,19)10-6-5-7-14-9-10/h5-9,16H,1-4H3
InChIKeyXVDFWQHYENTUJE-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.91
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide (PubChem CID 25037488) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide
PubChem CID25037488
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)11-8-12(17(4)15-11)16-20(18,19)10-6-5-7-14-9-10/h5-9,16H,1-4H3
InChIKeyXVDFWQHYENTUJE-UHFFFAOYSA-N
XLogP1.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide (CID 25037488) is N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide is Cn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is XVDFWQHYENTUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,3)11-8-12(17(4)15-11)16-20(18,19)10-6-5-7-14-9-10/h5-9,16H,1-4H3.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 25037488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).