1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

C17H16O3S3 — CID 58568135

IUPAC1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccccc1)c1ccsc1-c1cccs1
InChIInChI=1S/C17H16O3S3/c1-17(18,12-23(19,20)13-6-3-2-4-7-13)14-9-11-22-16(14)15-8-5-10-21-15/h2-11,18H,12H2,1H3
InChIKeyQCIYVNFHIVGOTA-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.16
Rot. Bonds5

About 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (PubChem CID 58568135) has the molecular formula C17H16O3S3 and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
PubChem CID58568135
Molecular FormulaC17H16O3S3
Molecular Weight364.51 g/mol
Exact Mass364.03
IUPAC Name1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccccc1)c1ccsc1-c1cccs1
InChIInChI=1S/C17H16O3S3/c1-17(18,12-23(19,20)13-6-3-2-4-7-13)14-9-11-22-16(14)15-8-5-10-21-15/h2-11,18H,12H2,1H3
InChIKeyQCIYVNFHIVGOTA-UHFFFAOYSA-N
XLogP4.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (CID 58568135) is 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is CC(O)(CS(=O)(=O)c1ccccc1)c1ccsc1-c1cccs1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The InChIKey is QCIYVNFHIVGOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S3/c1-17(18,12-23(19,20)13-6-3-2-4-7-13)14-9-11-22-16(14)15-8-5-10-21-15/h2-11,18H,12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol has a molecular weight of 364.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 58568135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).