N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide

C17H19N3O3S2 — CID 4209901

IUPACN-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-3-25(22,23)19-14-8-6-13(7-9-14)15-11-16(17-5-4-10-24-17)20(18-15)12(2)21/h4-10,16,19H,3,11H2,1-2H3
InChIKeyQZHDSMUKIQMHDI-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.21
Rot. Bonds5

About N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide

N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 4209901) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
PubChem CID4209901
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-3-25(22,23)19-14-8-6-13(7-9-14)15-11-16(17-5-4-10-24-17)20(18-15)12(2)21/h4-10,16,19H,3,11H2,1-2H3
InChIKeyQZHDSMUKIQMHDI-UHFFFAOYSA-N
XLogP3.21
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide (CID 4209901) is N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The InChIKey is QZHDSMUKIQMHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-25(22,23)19-14-8-6-13(7-9-14)15-11-16(17-5-4-10-24-17)20(18-15)12(2)21/h4-10,16,19H,3,11H2,1-2H3.
What are the key properties of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 4209901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).