2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide

C18H16FN3O2S — CID 67646422

IUPAC2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
SMILESCC=Cn1cc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C18H16FN3O2S/c1-2-11-22-12-16(13-7-9-14(19)10-8-13)18(21-22)15-5-3-4-6-17(15)25(20,23)24/h2-12H,1H3,(H2,20,23,24)
InChIKeyPOZVUSWQYXPDRF-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide

2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide (PubChem CID 67646422) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
PubChem CID67646422
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
SMILESCC=Cn1cc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C18H16FN3O2S/c1-2-11-22-12-16(13-7-9-14(19)10-8-13)18(21-22)15-5-3-4-6-17(15)25(20,23)24/h2-12H,1H3,(H2,20,23,24)
InChIKeyPOZVUSWQYXPDRF-UHFFFAOYSA-N
XLogP3.49
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide (CID 67646422) is 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide is CC=Cn1cc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is POZVUSWQYXPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-11-22-12-16(13-7-9-14(19)10-8-13)18(21-22)15-5-3-4-6-17(15)25(20,23)24/h2-12H,1H3,(H2,20,23,24).
What are the key properties of 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide?
2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).