(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid

C19H24FNO4S — CID 18797910

IUPAC(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C/C1CCC(NS(=O)(=O)/C=C/c2cccc(F)c2)C1
InChIInChI=1S/C19H24FNO4S/c20-17-7-4-6-16(13-17)11-12-26(24,25)21-18-10-9-15(14-18)5-2-1-3-8-19(22)23/h2,4-7,11-13,15,18,21H,1,3,8-10,14H2,(H,22,23)/b5-2+,12-11+
InChIKeyRPSOOJBJYXRLEQ-SMBYTERZSA-N
MW381.47 g/mol
LogP3.70
Rot. Bonds9

About (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid

(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid (PubChem CID 18797910) has the molecular formula C19H24FNO4S and a molecular weight of 381.47 g/mol. Its IUPAC name is (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid.

Molecular Properties

Compound Name(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid
PubChem CID18797910
Molecular FormulaC19H24FNO4S
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C/C1CCC(NS(=O)(=O)/C=C/c2cccc(F)c2)C1
InChIInChI=1S/C19H24FNO4S/c20-17-7-4-6-16(13-17)11-12-26(24,25)21-18-10-9-15(14-18)5-2-1-3-8-19(22)23/h2,4-7,11-13,15,18,21H,1,3,8-10,14H2,(H,22,23)/b5-2+,12-11+
InChIKeyRPSOOJBJYXRLEQ-SMBYTERZSA-N
XLogP3.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[(E)-2-phenylethenyl]sulfonylamino]pentanoic acid
CID 1745909
(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 15018450
(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 15018459
(Z)-6-[(5S)-5-[[(4-fluorophenyl)sulfonylamino]methyl]cyclopenten-1-yl]hex-4-enoic acid
CID 44273539
6-(2-Phenyl-ethenesulfonylamino)-hexanoic acid
CID 2063494
(Z)-7-[(1R,2S)-2-[(4-fluorophenyl)sulfonylamino]-5-oxocyclopentyl]hept-5-enoic acid
CID 44273384
(Z)-6-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hex-4-enoic acid
CID 44273500
(Z)-7-[(1R,2S,5R)-2-[(2,4-difluorophenyl)sulfonylamino]-5-fluorocyclopentyl]hept-5-enoic acid
CID 44273792
(Z)-7-((1R,2R)-2-Benzenesulfonylamino-cyclopentyl)-hept-5-enoic acid
CID 44295187
(Z)-7-((1R,2S)-2-Benzenesulfonylamino-cyclopentyl)-hept-5-enoic acid
CID 44295209
(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid
CID 15018454
(Z)-7-[(5S)-5-[[(4-fluorophenyl)sulfonylamino]methyl]cyclopenten-1-yl]hept-5-enoic acid
CID 44273542

Frequently Asked Questions

What is the IUPAC name of (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid?
The IUPAC name of (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid (CID 18797910) is (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid.
What is the SMILES notation for (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid?
The canonical SMILES for (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid is O=C(O)CCC/C=C/C1CCC(NS(=O)(=O)/C=C/c2cccc(F)c2)C1.
What is the InChIKey of (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid?
The InChIKey is RPSOOJBJYXRLEQ-SMBYTERZSA-N. The full InChI is InChI=1S/C19H24FNO4S/c20-17-7-4-6-16(13-17)11-12-26(24,25)21-18-10-9-15(14-18)5-2-1-3-8-19(22)23/h2,4-7,11-13,15,18,21H,1,3,8-10,14H2,(H,22,23)/b5-2+,12-11+.
What are the key properties of (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid?
(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid has a molecular weight of 381.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid is sourced from PubChem (CID 18797910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).