(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide

C18H17N3O2S — CID 95932062

IUPAC(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide
SMILESCc1ccccc1-n1nccc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-15-7-5-6-10-17(15)21-18(11-13-19-21)20-24(22,23)14-12-16-8-3-2-4-9-16/h2-14,20H,1H3/b14-12+
InChIKeyKLMMVIIOKHXTIG-WYMLVPIESA-N
MW339.42 g/mol
LogP3.59
Rot. Bonds5

About (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide

(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide (PubChem CID 95932062) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide
PubChem CID95932062
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide
SMILESCc1ccccc1-n1nccc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-15-7-5-6-10-17(15)21-18(11-13-19-21)20-24(22,23)14-12-16-8-3-2-4-9-16/h2-14,20H,1H3/b14-12+
InChIKeyKLMMVIIOKHXTIG-WYMLVPIESA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide (CID 95932062) is (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide is Cc1ccccc1-n1nccc1NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide?
The InChIKey is KLMMVIIOKHXTIG-WYMLVPIESA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-15-7-5-6-10-17(15)21-18(11-13-19-21)20-24(22,23)14-12-16-8-3-2-4-9-16/h2-14,20H,1H3/b14-12+.
What are the key properties of (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide?
(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 95932062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).