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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Related Compounds

3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine
CID 117036257
2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
CID 117037892
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene
CID 20680794
sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
CID 87610468
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
(5-chlorothiophen-2-yl)sulfonylmethanethiol
CID 117036877

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).