3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide

C15H20FN3O3S — CID 75437512

IUPAC3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(F)cccc1CO
InChIInChI=1S/C15H20FN3O3S/c1-4-12-15(13(5-2)19(3)17-12)23(21,22)18-14-10(9-20)7-6-8-11(14)16/h6-8,18,20H,4-5,9H2,1-3H3
InChIKeyLIBPMJBSYWHKOL-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.98
Rot. Bonds6

About 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide

3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 75437512) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID75437512
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(F)cccc1CO
InChIInChI=1S/C15H20FN3O3S/c1-4-12-15(13(5-2)19(3)17-12)23(21,22)18-14-10(9-20)7-6-8-11(14)16/h6-8,18,20H,4-5,9H2,1-3H3
InChIKeyLIBPMJBSYWHKOL-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide (CID 75437512) is 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(F)cccc1CO.
What is the InChIKey of 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is LIBPMJBSYWHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-4-12-15(13(5-2)19(3)17-12)23(21,22)18-14-10(9-20)7-6-8-11(14)16/h6-8,18,20H,4-5,9H2,1-3H3.
What are the key properties of 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide?
3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 75437512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).