[4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C19H22N2O6S3 — CID 2815640

IUPAC[4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CC1
InChIInChI=1S/C19H22N2O6S3/c22-19(17-7-4-12-27-17)20-8-10-21(11-9-20)30(25,26)18-13-16(14-28-18)29(23,24)15-5-2-1-3-6-15/h1-3,5-6,13-14,17H,4,7-12H2
InChIKeyVDRBVLPTMNCHAG-UHFFFAOYSA-N
MW470.59 g/mol
LogP1.59
Rot. Bonds5

About [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 2815640) has the molecular formula C19H22N2O6S3 and a molecular weight of 470.59 g/mol. Its IUPAC name is [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID2815640
Molecular FormulaC19H22N2O6S3
Molecular Weight470.59 g/mol
Exact Mass470.06
IUPAC Name[4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CC1
InChIInChI=1S/C19H22N2O6S3/c22-19(17-7-4-12-27-17)20-8-10-21(11-9-20)30(25,26)18-13-16(14-28-18)29(23,24)15-5-2-1-3-6-15/h1-3,5-6,13-14,17H,4,7-12H2
InChIKeyVDRBVLPTMNCHAG-UHFFFAOYSA-N
XLogP1.59
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 2815640) is [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CC1.
What is the InChIKey of [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VDRBVLPTMNCHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S3/c22-19(17-7-4-12-27-17)20-8-10-21(11-9-20)30(25,26)18-13-16(14-28-18)29(23,24)15-5-2-1-3-6-15/h1-3,5-6,13-14,17H,4,7-12H2.
What are the key properties of [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 470.59 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 2815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).