N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide

C18H17N3O2S — CID 11013215

IUPACN-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-6-15-9-11-17(12-10-15)24(22,23)20-18-13-14-19-21(18)16-7-4-3-5-8-16/h2-5,7-14,20H,1,6H2
InChIKeyOQWUYPYMWAOOOX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.40
Rot. Bonds6

About N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide

N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide (PubChem CID 11013215) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
PubChem CID11013215
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-6-15-9-11-17(12-10-15)24(22,23)20-18-13-14-19-21(18)16-7-4-3-5-8-16/h2-5,7-14,20H,1,6H2
InChIKeyOQWUYPYMWAOOOX-UHFFFAOYSA-N
XLogP3.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide (CID 11013215) is N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide is C=CCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
The InChIKey is OQWUYPYMWAOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-6-15-9-11-17(12-10-15)24(22,23)20-18-13-14-19-21(18)16-7-4-3-5-8-16/h2-5,7-14,20H,1,6H2.
What are the key properties of N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide?
N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrazol-3-yl)-4-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11013215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).