[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

C19H20FNO4S — CID 7767542

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c1-14(15-4-8-17(20)9-5-15)25-19(22)16-6-10-18(11-7-16)26(23,24)21-12-2-3-13-21/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyGXHCANAFCIXMET-CQSZACIVSA-N
MW377.44 g/mol
LogP3.53
Rot. Bonds5

About [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 7767542) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID7767542
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c1-14(15-4-8-17(20)9-5-15)25-19(22)16-6-10-18(11-7-16)26(23,24)21-12-2-3-13-21/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyGXHCANAFCIXMET-CQSZACIVSA-N
XLogP3.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-fluorophenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 40855106
[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2662432
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553685
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9051085
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010046
[(2S)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010048
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295
1-phenylethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 16521705
[(1R)-1-phenylethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 7981410
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55582803
[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491563

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate (CID 7767542) is [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate is C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is GXHCANAFCIXMET-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-14(15-4-8-17(20)9-5-15)25-19(22)16-6-10-18(11-7-16)26(23,24)21-12-2-3-13-21/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate?
[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 377.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 7767542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).