1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C16H16N4O3S2 — CID 17394946

IUPAC1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H16N4O3S2/c21-16(15-12-4-1-2-5-13(12)17-18-15)19-7-9-20(10-8-19)25(22,23)14-6-3-11-24-14/h1-6,11H,7-10H2,(H,17,18)
InChIKeyHYFTXCOMZVMISD-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.77
Rot. Bonds3

About 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 17394946) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID17394946
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H16N4O3S2/c21-16(15-12-4-1-2-5-13(12)17-18-15)19-7-9-20(10-8-19)25(22,23)14-6-3-11-24-14/h1-6,11H,7-10H2,(H,17,18)
InChIKeyHYFTXCOMZVMISD-UHFFFAOYSA-N
XLogP1.77
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 17394946) is 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HYFTXCOMZVMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c21-16(15-12-4-1-2-5-13(12)17-18-15)19-7-9-20(10-8-19)25(22,23)14-6-3-11-24-14/h1-6,11H,7-10H2,(H,17,18).
What are the key properties of 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 17394946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).