(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide

C19H19N3O2S — CID 166403503

IUPAC(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide
SMILESCc1cc(NS(=O)(=O)/C=C/c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H19N3O2S/c1-16-14-19(22(20-16)15-18-10-6-3-7-11-18)21-25(23,24)13-12-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3/b13-12+
InChIKeyBKQCAUKMGLYMIH-OUKQBFOZSA-N
MW353.45 g/mol
LogP3.65
Rot. Bonds6

About (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide

(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide (PubChem CID 166403503) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide
PubChem CID166403503
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide
SMILESCc1cc(NS(=O)(=O)/C=C/c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H19N3O2S/c1-16-14-19(22(20-16)15-18-10-6-3-7-11-18)21-25(23,24)13-12-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3/b13-12+
InChIKeyBKQCAUKMGLYMIH-OUKQBFOZSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
CID 39854251
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60571336
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide
CID 31913463
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide
CID 95932062
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
CID 78952322
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 60571228

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide (CID 166403503) is (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide is Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide?
The InChIKey is BKQCAUKMGLYMIH-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-16-14-19(22(20-16)15-18-10-6-3-7-11-18)21-25(23,24)13-12-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3/b13-12+.
What are the key properties of (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide?
(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 166403503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).