2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol

C8H11ClO3S2 — CID 117037675

IUPAC2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol
SMILESCCC(CO)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClO3S2/c1-2-6(5-10)14(11,12)8-4-3-7(9)13-8/h3-4,6,10H,2,5H2,1H3
InChIKeyIKBPFIYCKLWEFK-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.95
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol

2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol (PubChem CID 117037675) has the molecular formula C8H11ClO3S2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol
PubChem CID117037675
Molecular FormulaC8H11ClO3S2
Molecular Weight254.76 g/mol
Exact Mass253.98
IUPAC Name2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol
SMILESCCC(CO)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClO3S2/c1-2-6(5-10)14(11,12)8-4-3-7(9)13-8/h3-4,6,10H,2,5H2,1H3
InChIKeyIKBPFIYCKLWEFK-UHFFFAOYSA-N
XLogP1.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol (CID 117037675) is 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol is CCC(CO)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol?
The InChIKey is IKBPFIYCKLWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO3S2/c1-2-6(5-10)14(11,12)8-4-3-7(9)13-8/h3-4,6,10H,2,5H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol?
2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol is sourced from PubChem (CID 117037675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).