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

trans-methyl (1S,2S)-2-(4-aminophenyl)cyclopropane-1-carboxylate
CID 124585525
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate
CID 156652998
methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate
CID 59369268
methyl 2-[4-(2-chloroacetyl)phenyl]cyclopropane-1-carboxylate
CID 141133244
trans-methyl (1R,2R)-2-[4-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]phenyl]cyclopropane-1-carboxylate
CID 140810486
trans-methyl (1S,2S)-2-(4-ethynylphenyl)cyclopropane-1-carboxylate
CID 124564799
trans-methyl (1S,2S)-2-(4-cyanophenyl)cyclopropane-1-carboxylate
CID 132565923
trans-methyl (1S,2S)-2-[4-(dimethoxymethyl)phenyl]cyclopropane-1-carboxylate
CID 72544165
methyl 2-[4-(bromomethoxy)phenyl]cyclopropane-1-carboxylate
CID 172729107
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953

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).