1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide

C11H12FN3O2S — CID 54896033

IUPAC1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cn[nH]c1
InChIInChI=1S/C11H12FN3O2S/c12-11-3-1-9(2-4-11)8-18(16,17)15-7-10-5-13-14-6-10/h1-6,15H,7-8H2,(H,13,14)
InChIKeyGWJULVJMZQZAFI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.17
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide

1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide (PubChem CID 54896033) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
PubChem CID54896033
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cn[nH]c1
InChIInChI=1S/C11H12FN3O2S/c12-11-3-1-9(2-4-11)8-18(16,17)15-7-10-5-13-14-6-10/h1-6,15H,7-8H2,(H,13,14)
InChIKeyGWJULVJMZQZAFI-UHFFFAOYSA-N
XLogP1.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide (CID 54896033) is 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1cn[nH]c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
The InChIKey is GWJULVJMZQZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c12-11-3-1-9(2-4-11)8-18(16,17)15-7-10-5-13-14-6-10/h1-6,15H,7-8H2,(H,13,14).
What are the key properties of 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 54896033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).