N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide

C12H15FN4O2S — CID 154739294

IUPACN-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide
SMILESCC(C)(C)n1cc(NS(=O)(=O)c2cncc(F)c2)cn1
InChIInChI=1S/C12H15FN4O2S/c1-12(2,3)17-8-10(6-15-17)16-20(18,19)11-4-9(13)5-14-7-11/h4-8,16H,1-3H3
InChIKeyRXXHBHLSCAHCBN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.97
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide

N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide (PubChem CID 154739294) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide
PubChem CID154739294
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide
SMILESCC(C)(C)n1cc(NS(=O)(=O)c2cncc(F)c2)cn1
InChIInChI=1S/C12H15FN4O2S/c1-12(2,3)17-8-10(6-15-17)16-20(18,19)11-4-9(13)5-14-7-11/h4-8,16H,1-3H3
InChIKeyRXXHBHLSCAHCBN-UHFFFAOYSA-N
XLogP1.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide (CID 154739294) is N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide is CC(C)(C)n1cc(NS(=O)(=O)c2cncc(F)c2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is RXXHBHLSCAHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-12(2,3)17-8-10(6-15-17)16-20(18,19)11-4-9(13)5-14-7-11/h4-8,16H,1-3H3.
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide?
N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 154739294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).