(E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide

C17H17N3O2S2 — CID 71797432

IUPAC(E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide
SMILESCn1nc(CNS(=O)(=O)/C=C/c2ccccc2)cc1-c1cccs1
InChIInChI=1S/C17H17N3O2S2/c1-20-16(17-8-5-10-23-17)12-15(19-20)13-18-24(21,22)11-9-14-6-3-2-4-7-14/h2-12,18H,13H2,1H3/b11-9+
InChIKeyUHIIGRGDVRIZRY-PKNBQFBNSA-N
MW359.48 g/mol
LogP3.24
Rot. Bonds6

About (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide

(E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide (PubChem CID 71797432) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide
PubChem CID71797432
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name(E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide
SMILESCn1nc(CNS(=O)(=O)/C=C/c2ccccc2)cc1-c1cccs1
InChIInChI=1S/C17H17N3O2S2/c1-20-16(17-8-5-10-23-17)12-15(19-20)13-18-24(21,22)11-9-14-6-3-2-4-7-14/h2-12,18H,13H2,1H3/b11-9+
InChIKeyUHIIGRGDVRIZRY-PKNBQFBNSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide (CID 71797432) is (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide is Cn1nc(CNS(=O)(=O)/C=C/c2ccccc2)cc1-c1cccs1.
What is the InChIKey of (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide?
The InChIKey is UHIIGRGDVRIZRY-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-20-16(17-8-5-10-23-17)12-15(19-20)13-18-24(21,22)11-9-14-6-3-2-4-7-14/h2-12,18H,13H2,1H3/b11-9+.
What are the key properties of (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide?
(E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 71797432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).