methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate

C11H10ClFO4S — CID 167444882

IUPACmethyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Cl)c(C2CC2)cc1F
InChIInChI=1S/C11H10ClFO4S/c1-17-11(14)8-5-10(18(12,15)16)7(4-9(8)13)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyFXHCICZESWPSHQ-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.42
Rot. Bonds3

About methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate

methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate (PubChem CID 167444882) has the molecular formula C11H10ClFO4S and a molecular weight of 292.72 g/mol. Its IUPAC name is methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate
PubChem CID167444882
Molecular FormulaC11H10ClFO4S
Molecular Weight292.72 g/mol
Exact Mass292.00
IUPAC Namemethyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Cl)c(C2CC2)cc1F
InChIInChI=1S/C11H10ClFO4S/c1-17-11(14)8-5-10(18(12,15)16)7(4-9(8)13)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyFXHCICZESWPSHQ-UHFFFAOYSA-N
XLogP2.42
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 2-chlorosulfonyl-4-fluoro-5-methylbenzoate
CID 104668063
cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65396950
2-cyclopropylethyl 5-chlorosulfonyl-2-fluoro-4-methylbenzoate
CID 106206911
methyl 2-cyclopropyl-4-fluoro-5-nitrobenzoate
CID 58575084
methyl 5-chlorosulfonyl-2,4-dimethylbenzoate
CID 43436743
methyl 2-ethyl-4-(4-methylcyclohexyl)-5-methylsulfonylbenzoate
CID 18937281
5-chlorosulfonyl-4-cyclobutyl-2-methylbenzoic acid
CID 10708533
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926
cyclobutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65373948
dimethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarboxylate
CID 13411242

Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate?
The IUPAC name of methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate (CID 167444882) is methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate.
What is the SMILES notation for methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate?
The canonical SMILES for methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate is COC(=O)c1cc(S(=O)(=O)Cl)c(C2CC2)cc1F.
What is the InChIKey of methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate?
The InChIKey is FXHCICZESWPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO4S/c1-17-11(14)8-5-10(18(12,15)16)7(4-9(8)13)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate?
methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate has a molecular weight of 292.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate is sourced from PubChem (CID 167444882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).