methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate

C14H17ClO4S — CID 107776727

IUPACmethyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClO4S/c1-19-13(16)8-14(6-7-14)10-20(17,18)9-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyOFQOKKVZOJQSOB-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.60
Rot. Bonds6

About methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate (PubChem CID 107776727) has the molecular formula C14H17ClO4S and a molecular weight of 316.81 g/mol. Its IUPAC name is methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate
PubChem CID107776727
Molecular FormulaC14H17ClO4S
Molecular Weight316.81 g/mol
Exact Mass316.05
IUPAC Namemethyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClO4S/c1-19-13(16)8-14(6-7-14)10-20(17,18)9-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyOFQOKKVZOJQSOB-UHFFFAOYSA-N
XLogP2.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-[(4-methoxyphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776739
methyl 2-[1-[[4-(aminomethyl)phenyl]methylsulfonylmethyl]cyclopropyl]acetate
CID 107778688
methyl 2-[1-[(4-bromophenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776726
methyl 2-[1-[(3,4-difluorophenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776772
methyl 2-[1-[(4-amino-3-fluorophenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107777632
methyl 2-[1-[(3,5-dimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776733
methyl 2-[1-[(5-bromothiophen-2-yl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776694
methyl 2-[1-[(2-methoxyphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776744
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
methyl 2-[1-[(2,5-dimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776640
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfonylmethyl]thiophene-2-carboxylic acid
CID 107776566

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate (CID 107776727) is methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate?
The InChIKey is OFQOKKVZOJQSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4S/c1-19-13(16)8-14(6-7-14)10-20(17,18)9-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate has a molecular weight of 316.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).