5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride

C13H13ClO2S2 — CID 22998503

IUPAC5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride
SMILESCC(C)c1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1
InChIInChI=1S/C13H13ClO2S2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13(17-12)18(14,15)16/h3-9H,1-2H3
InChIKeyAJSUENQIABHMBI-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.47
Rot. Bonds3

About 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride

5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride (PubChem CID 22998503) has the molecular formula C13H13ClO2S2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride
PubChem CID22998503
Molecular FormulaC13H13ClO2S2
Molecular Weight300.83 g/mol
Exact Mass300.00
IUPAC Name5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride
SMILESCC(C)c1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1
InChIInChI=1S/C13H13ClO2S2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13(17-12)18(14,15)16/h3-9H,1-2H3
InChIKeyAJSUENQIABHMBI-UHFFFAOYSA-N
XLogP4.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)thiophene-2-sulfonyl chloride
CID 22998474
methyl 4-(5-chlorosulfonylthiophen-2-yl)benzoate
CID 22998471
5-(2-methylphenyl)thiophene-2-sulfonyl chloride
CID 22998464
1-[(1R)-1-[4-(5-ethylsulfonylthiophen-2-yl)phenyl]ethyl]pyrrolidine
CID 126447651
2-(5-chlorothiophen-2-yl)-5-propan-2-ylsulfonylthiophene
CID 20680794
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
N-[[5-(4-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287239
5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride
CID 2736710
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
5-(methylsulfamoyl)thiophene-2-sulfonyl chloride
CID 163241520

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride (CID 22998503) is 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride is CC(C)c1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride?
The InChIKey is AJSUENQIABHMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13(17-12)18(14,15)16/h3-9H,1-2H3.
What are the key properties of 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride?
5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride has a molecular weight of 300.83 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 22998503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).