4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide

C18H17N3O2S — CID 70188034

IUPAC4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide
SMILESCC=Cn1cc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H17N3O2S/c1-2-12-21-13-17(14-6-4-3-5-7-14)18(20-21)15-8-10-16(11-9-15)24(19,22)23/h2-13H,1H3,(H2,19,22,23)
InChIKeyWEKXNIHFCRYKLV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide

4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide (PubChem CID 70188034) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide
PubChem CID70188034
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide
SMILESCC=Cn1cc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H17N3O2S/c1-2-12-21-13-17(14-6-4-3-5-7-14)18(20-21)15-8-10-16(11-9-15)24(19,22)23/h2-13H,1H3,(H2,19,22,23)
InChIKeyWEKXNIHFCRYKLV-UHFFFAOYSA-N
XLogP3.36
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
CID 67646422
3-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl N-hydroxy-N-methylcarbamodithioate
CID 87974182
2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121461673
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide
CID 22107208
4-[4-(4-methylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
CID 173275789
4-[1-ethyl-4-(4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355888
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
3-[4-phenyl-3-(4-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate
CID 22505671
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-[4-(4-chlorophenyl)-5-(hydroxymethyl)-1-prop-1-enylpyrazol-3-yl]benzenesulfonamide
CID 70187985

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide (CID 70188034) is 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide is CC=Cn1cc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is WEKXNIHFCRYKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-12-21-13-17(14-6-4-3-5-7-14)18(20-21)15-8-10-16(11-9-15)24(19,22)23/h2-13H,1H3,(H2,19,22,23).
What are the key properties of 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide?
4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1-prop-1-enylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 70188034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).