(Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid

C18H23FN2O6S — CID 67797215

IUPAC(Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid
SMILESO=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F
InChIInChI=1S/C18H23FN2O6S/c19-15-11-10-13(14(15)6-2-1-3-9-18(22)23)12-20-28(26,27)17-8-5-4-7-16(17)21(24)25/h1-2,4-5,7-8,13-15,20H,3,6,9-12H2,(H,22,23)/b2-1-/t13-,14-,15-/m1/s1
InChIKeyRHBYKWDHJYIYKD-PDAPNNNUSA-N
MW414.46 g/mol
LogP3.05
Rot. Bonds10

About (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid

(Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid (PubChem CID 67797215) has the molecular formula C18H23FN2O6S and a molecular weight of 414.46 g/mol. Its IUPAC name is (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid
PubChem CID67797215
Molecular FormulaC18H23FN2O6S
Molecular Weight414.46 g/mol
Exact Mass414.13
IUPAC Name(Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid
SMILESO=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F
InChIInChI=1S/C18H23FN2O6S/c19-15-11-10-13(14(15)6-2-1-3-9-18(22)23)12-20-28(26,27)17-8-5-4-7-16(17)21(24)25/h1-2,4-5,7-8,13-15,20H,3,6,9-12H2,(H,22,23)/b2-1-/t13-,14-,15-/m1/s1
InChIKeyRHBYKWDHJYIYKD-PDAPNNNUSA-N
XLogP3.05
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid with MolForge

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Related Compounds

methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate
CID 67916513
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
CID 103270198
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
2-nitro-N-phenacylbenzenesulfonamide
CID 12517296
(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 15018459
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
N-[2-(4-bromocyclohexyl)ethyl]-2-nitrobenzenesulfonamide
CID 171743231
N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 2578365

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid?
The IUPAC name of (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid (CID 67797215) is (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid.
What is the SMILES notation for (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid?
The canonical SMILES for (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid is O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F.
What is the InChIKey of (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid?
The InChIKey is RHBYKWDHJYIYKD-PDAPNNNUSA-N. The full InChI is InChI=1S/C18H23FN2O6S/c19-15-11-10-13(14(15)6-2-1-3-9-18(22)23)12-20-28(26,27)17-8-5-4-7-16(17)21(24)25/h1-2,4-5,7-8,13-15,20H,3,6,9-12H2,(H,22,23)/b2-1-/t13-,14-,15-/m1/s1.
What are the key properties of (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid?
(Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid has a molecular weight of 414.46 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[(1R,2R,5S)-2-fluoro-5-[[(2-nitrophenyl)sulfonylamino]methyl]cyclopentyl]hex-4-enoic acid is sourced from PubChem (CID 67797215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).