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

C17H19N3O3S2 — CID 2963394

IUPACN-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccs3)C2)c1
InChIInChI=1S/C17H19N3O3S2/c1-3-25(22,23)19-14-7-4-6-13(10-14)15-11-16(17-8-5-9-24-17)20(18-15)12(2)21/h4-10,16,19H,3,11H2,1-2H3
InChIKeyJFRGBKICOCYMMS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.21
Rot. Bonds5

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

N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 2963394) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
PubChem CID2963394
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccs3)C2)c1
InChIInChI=1S/C17H19N3O3S2/c1-3-25(22,23)19-14-7-4-6-13(10-14)15-11-16(17-8-5-9-24-17)20(18-15)12(2)21/h4-10,16,19H,3,11H2,1-2H3
InChIKeyJFRGBKICOCYMMS-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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Related Compounds

1-acetyl-5-(3-nitrophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2960534
N-{4-[1-phenyl-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}acetamide
CID 2834907
N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide
CID 2964794
N-(4-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 3157407
N-{3-[1-(4-methylbenzoyl)-5-thien-2-yl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 3979143
N-[4-[2-(cyclohexanecarbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4087131
N-{4-[1-(2-methylpropanoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 4092587
N-(4-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 4134680
N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4225471
N-(3-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 4354036
N-[3-(2-ethylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
CID 4463546
N-(3-(5-(thiophen-2-yl)-1-tosyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 4463547

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide (CID 2963394) is N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccs3)C2)c1.
What is the InChIKey of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The InChIKey is JFRGBKICOCYMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-25(22,23)19-14-7-4-6-13(10-14)15-11-16(17-8-5-9-24-17)20(18-15)12(2)21/h4-10,16,19H,3,11H2,1-2H3.
What are the key properties of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
N-[3-(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-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 2963394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).