N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C15H20FN3O3S — CID 71997743

IUPACN-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N(C)CCOc2cccc(F)c2)cn1
InChIInChI=1S/C15H20FN3O3S/c1-12(2)19-11-15(10-17-19)23(20,21)18(3)7-8-22-14-6-4-5-13(16)9-14/h4-6,9-12H,7-8H2,1-3H3
InChIKeyVTGBEWNBUNOWLI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71997743) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71997743
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N(C)CCOc2cccc(F)c2)cn1
InChIInChI=1S/C15H20FN3O3S/c1-12(2)19-11-15(10-17-19)23(20,21)18(3)7-8-22-14-6-4-5-13(16)9-14/h4-6,9-12H,7-8H2,1-3H3
InChIKeyVTGBEWNBUNOWLI-UHFFFAOYSA-N
XLogP2.30
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 71997743) is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)N(C)CCOc2cccc(F)c2)cn1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is VTGBEWNBUNOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-12(2)19-11-15(10-17-19)23(20,21)18(3)7-8-22-14-6-4-5-13(16)9-14/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71997743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).