4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C20H19N3O3S2 — CID 171350740

IUPAC4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)18-13-19(20-3-2-12-27-20)23(22-18)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
InChIKeyOWDCGWUZLARAGV-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.76
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 171350740) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID171350740
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)18-13-19(20-3-2-12-27-20)23(22-18)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
InChIKeyOWDCGWUZLARAGV-UHFFFAOYSA-N
XLogP3.76
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 171350740) is 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is OWDCGWUZLARAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)18-13-19(20-3-2-12-27-20)23(22-18)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25).
What are the key properties of 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 171350740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).