(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid

C18H23F2NO4S — CID 15018459

IUPAC(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H23F2NO4S/c19-13-7-9-14(10-8-13)26(24,25)21-17-12-11-16(20)15(17)5-3-1-2-4-6-18(22)23/h1,3,7-10,15-17,21H,2,4-6,11-12H2,(H,22,23)/b3-1-/t15-,16+,17-/m0/s1
InChIKeyFSSSDPWFJBFSRT-CIWJSOGRSA-N
MW387.45 g/mol
LogP3.42
Rot. Bonds9

About (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid (PubChem CID 15018459) has the molecular formula C18H23F2NO4S and a molecular weight of 387.45 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
PubChem CID15018459
Molecular FormulaC18H23F2NO4S
Molecular Weight387.45 g/mol
Exact Mass387.13
IUPAC Name(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H23F2NO4S/c19-13-7-9-14(10-8-13)26(24,25)21-17-12-11-16(20)15(17)5-3-1-2-4-6-18(22)23/h1,3,7-10,15-17,21H,2,4-6,11-12H2,(H,22,23)/b3-1-/t15-,16+,17-/m0/s1
InChIKeyFSSSDPWFJBFSRT-CIWJSOGRSA-N
XLogP3.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.42
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

7-[(1S,2R,3S,5R)-3-(benzenesulfonamido)-6-thiabicyclo[3.1.0]hexan-2-yl]hept-5-enoic acid
CID 54072046
(Z)-7-[(1S,2R,3R,4R)-3-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 10928987
(E)-7-[2-(naphthalen-2-ylsulfonylamino)cyclohexyl]hept-5-enoic acid
CID 18797896
(E)-7-[2-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 18798004
[(1S,2R,3S)-3-(benzenesulfonamido)-2-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] benzoate
CID 15018451
(Z)-7-[(1S,2R,3R,4R)-3-[(2-phenyl-1H-indol-6-yl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 10767455
(Z)-7-[(1S,4R,5R,6S)-6-[(4-fluorophenyl)sulfonylamino]-4-(4-phenylphenyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
CID 67857644
methyl (Z)-7-[(1R,2S,3S,5R)-3-(benzenesulfonamido)-2-bicyclo[3.1.0]hexanyl]hept-5-enoate
CID 14507247
7-[3-[[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-bicyclo[2.2.2]octanyl]hept-5-enoic acid
CID 57089380
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
CID 67929197
(Z)-7-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 88741148

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid (CID 15018459) is (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
The InChIKey is FSSSDPWFJBFSRT-CIWJSOGRSA-N. The full InChI is InChI=1S/C18H23F2NO4S/c19-13-7-9-14(10-8-13)26(24,25)21-17-12-11-16(20)15(17)5-3-1-2-4-6-18(22)23/h1,3,7-10,15-17,21H,2,4-6,11-12H2,(H,22,23)/b3-1-/t15-,16+,17-/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid has a molecular weight of 387.45 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 15018459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).