(4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate

C19H19FO4S — CID 46694183

IUPAC(4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C19H19FO4S/c20-16-10-8-15(9-11-16)14-24-18(21)19(12-4-5-13-19)25(22,23)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2
InChIKeyYEQSNOWIRVDMAG-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.66
Rot. Bonds5

About (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate

(4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate (PubChem CID 46694183) has the molecular formula C19H19FO4S and a molecular weight of 362.42 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate
PubChem CID46694183
Molecular FormulaC19H19FO4S
Molecular Weight362.42 g/mol
Exact Mass362.10
IUPAC Name(4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C19H19FO4S/c20-16-10-8-15(9-11-16)14-24-18(21)19(12-4-5-13-19)25(22,23)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2
InChIKeyYEQSNOWIRVDMAG-UHFFFAOYSA-N
XLogP3.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate (CID 46694183) is (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate is O=C(OCc1ccc(F)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
The InChIKey is YEQSNOWIRVDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4S/c20-16-10-8-15(9-11-16)14-24-18(21)19(12-4-5-13-19)25(22,23)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2.
What are the key properties of (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
(4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate has a molecular weight of 362.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46694183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).