methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate

C11H11ClO4S — CID 87712134

IUPACmethyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H11ClO4S/c1-16-11(13)10-6-9(10)7-2-4-8(5-3-7)17(12,14)15/h2-5,9-10H,6H2,1H3
InChIKeyWWQRYPJYEVYJOX-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate

methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate (PubChem CID 87712134) has the molecular formula C11H11ClO4S and a molecular weight of 274.73 g/mol. Its IUPAC name is methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
PubChem CID87712134
Molecular FormulaC11H11ClO4S
Molecular Weight274.73 g/mol
Exact Mass274.01
IUPAC Namemethyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H11ClO4S/c1-16-11(13)10-6-9(10)7-2-4-8(5-3-7)17(12,14)15/h2-5,9-10H,6H2,1H3
InChIKeyWWQRYPJYEVYJOX-UHFFFAOYSA-N
XLogP1.89
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-[4-(aminosulfonyl)phenyl]propanoate
CID 16122582
Methyl 6-{[(4-methylphenyl)sulfonyl]oxy}hexanoate
CID 357797
Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate
CID 19261331
3-[4-(Chlorosulfonyl)phenyl]propanoic acid
CID 2757915
Methyl 3-[4-(chlorosulfonyl)phenyl]propanoate
CID 23158517
3-(4-Sulfophenyl)butyrate
CID 46173017
8-(4-Sulfophenyl)nonanoic acid
CID 102066155
C3-Sulfophenyl alkyl dicarboxylic acid
CID 14921177
C11-Sulfophenyl alkyl carboxylic acid
CID 101056938
8-(4-Sulfophenyl)octanoic acid
CID 53987276
3-(4-Sulfamoylphenyl)propanoate
CID 7210839
Methyl 2-[4-(chlorosulfonyl)phenyl]acetate
CID 23388822

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate (CID 87712134) is methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate is COC(=O)C1CC1c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate?
The InChIKey is WWQRYPJYEVYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4S/c1-16-11(13)10-6-9(10)7-2-4-8(5-3-7)17(12,14)15/h2-5,9-10H,6H2,1H3.
What are the key properties of methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate?
methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate has a molecular weight of 274.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 87712134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).