cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate

C10H11ClO4S2 — CID 65373367

IUPACcyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)Cl)s1)OC1CCC1
InChIInChI=1S/C10H11ClO4S2/c11-17(13,14)10-5-4-8(16-10)6-9(12)15-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyAUEFHGCZJUOGTF-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.31
Rot. Bonds4

About cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate

cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (PubChem CID 65373367) has the molecular formula C10H11ClO4S2 and a molecular weight of 294.78 g/mol. Its IUPAC name is cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Namecyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
PubChem CID65373367
Molecular FormulaC10H11ClO4S2
Molecular Weight294.78 g/mol
Exact Mass293.98
IUPAC Namecyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)Cl)s1)OC1CCC1
InChIInChI=1S/C10H11ClO4S2/c11-17(13,14)10-5-4-8(16-10)6-9(12)15-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyAUEFHGCZJUOGTF-UHFFFAOYSA-N
XLogP2.31
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375705
(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65397741
cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65396177
propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65395765
5-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 103540932
2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375313
2-(2-methylpropoxy)ethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 106450858
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
5-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 102970887
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 55047990
5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65368095

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The IUPAC name of cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (CID 65373367) is cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.
What is the SMILES notation for cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The canonical SMILES for cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is O=C(Cc1ccc(S(=O)(=O)Cl)s1)OC1CCC1.
What is the InChIKey of cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The InChIKey is AUEFHGCZJUOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S2/c11-17(13,14)10-5-4-8(16-10)6-9(12)15-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate has a molecular weight of 294.78 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 65373367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).