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

C9H11ClO4S2 — CID 65395765

IUPACpropyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESCCCOC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H11ClO4S2/c1-2-5-14-8(11)6-7-3-4-9(15-7)16(10,12)13/h3-4H,2,5-6H2,1H3
InChIKeyIIHVHOKKSSXBNN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.17
Rot. Bonds5

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

propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (PubChem CID 65395765) has the molecular formula C9H11ClO4S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
PubChem CID65395765
Molecular FormulaC9H11ClO4S2
Molecular Weight282.77 g/mol
Exact Mass281.98
IUPAC Namepropyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESCCCOC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H11ClO4S2/c1-2-5-14-8(11)6-7-3-4-9(15-7)16(10,12)13/h3-4H,2,5-6H2,1H3
InChIKeyIIHVHOKKSSXBNN-UHFFFAOYSA-N
XLogP2.17
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375313
2-(2-methylpropoxy)ethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 106450858
cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65396177
cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65373367
(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65397741
propyl 2-[5-[(butylsulfonylamino)methyl]thiophen-2-yl]acetate
CID 58942892
(3-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375705
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 65370442
5-[2-(3-methylpentan-3-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 106331485
5-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65396098
5-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 103540932

Frequently Asked Questions

What is the IUPAC name of propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The IUPAC name of propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (CID 65395765) is propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.
What is the SMILES notation for propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The canonical SMILES for propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is CCCOC(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The InChIKey is IIHVHOKKSSXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S2/c1-2-5-14-8(11)6-7-3-4-9(15-7)16(10,12)13/h3-4H,2,5-6H2,1H3.
What are the key properties of propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate has a molecular weight of 282.77 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 65395765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).