4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide

C17H15N3O2S3 — CID 127042823

IUPAC4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2cccs2)cc1
InChIInChI=1S/C17H15N3O2S3/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
InChIKeyJGZJHEIVVDMVFN-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.81
Rot. Bonds4

About 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide

4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide (PubChem CID 127042823) has the molecular formula C17H15N3O2S3 and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
PubChem CID127042823
Molecular FormulaC17H15N3O2S3
Molecular Weight389.53 g/mol
Exact Mass389.03
IUPAC Name4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2cccs2)cc1
InChIInChI=1S/C17H15N3O2S3/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
InChIKeyJGZJHEIVVDMVFN-UHFFFAOYSA-N
XLogP3.81
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide (CID 127042823) is 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2cccs2)cc1.
What is the InChIKey of 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide?
The InChIKey is JGZJHEIVVDMVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S3/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22).
What are the key properties of 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide?
4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide has a molecular weight of 389.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 127042823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).