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

C18H16FN3O2S — CID 67646420

IUPACN-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
SMILESC=CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H16FN3O2S/c1-2-12-22-13-17(14-8-10-15(19)11-9-14)18(20-22)21-25(23,24)16-6-4-3-5-7-16/h2-11,13H,1,12H2,(H,20,21)
InChIKeyMYVFVBJMCCSNKP-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds6

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

N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide (PubChem CID 67646420) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
PubChem CID67646420
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
SMILESC=CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H16FN3O2S/c1-2-12-22-13-17(14-8-10-15(19)11-9-14)18(20-22)21-25(23,24)16-6-4-3-5-7-16/h2-11,13H,1,12H2,(H,20,21)
InChIKeyMYVFVBJMCCSNKP-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
CID 23367300
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CID 67647098
4-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 54036831
N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
CID 141468045
4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide
CID 71457758
5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid
CID 135385857
N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6899688
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206103
2-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645020
N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 72581892
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 3258814

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide (CID 67646420) is N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide is C=CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is MYVFVBJMCCSNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-12-22-13-17(14-8-10-15(19)11-9-14)18(20-22)21-25(23,24)16-6-4-3-5-7-16/h2-11,13H,1,12H2,(H,20,21).
What are the key properties of N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide?
N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).