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

C19H26FNO4S — CID 15018450

IUPAC(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCCC(=O)O)cc1
InChIInChI=1S/C19H26FNO4S/c1-14-8-10-15(11-9-14)26(24,25)21-18-13-12-17(20)16(18)6-4-2-3-5-7-19(22)23/h2,4,8-11,16-18,21H,3,5-7,12-13H2,1H3,(H,22,23)/b4-2-/t16-,17+,18-/m0/s1
InChIKeyDDYLMISECFMAPL-ZZIRLFQASA-N
MW383.49 g/mol
LogP3.59
Rot. Bonds9

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

(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid (PubChem CID 15018450) has the molecular formula C19H26FNO4S and a molecular weight of 383.49 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
PubChem CID15018450
Molecular FormulaC19H26FNO4S
Molecular Weight383.49 g/mol
Exact Mass383.16
IUPAC Name(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCCC(=O)O)cc1
InChIInChI=1S/C19H26FNO4S/c1-14-8-10-15(11-9-14)26(24,25)21-18-13-12-17(20)16(18)6-4-2-3-5-7-19(22)23/h2,4,8-11,16-18,21H,3,5-7,12-13H2,1H3,(H,22,23)/b4-2-/t16-,17+,18-/m0/s1
InChIKeyDDYLMISECFMAPL-ZZIRLFQASA-N
XLogP3.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.59
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

Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-
CID 95822
N-((4-Methylphenyl)sulfonyl)-L-phenylalanine
CID 99327
Biphenylsulfonamide carboxylate, 9
CID 24901479
2-[[1,1'-Biphenyl]-4-sulfonamido]-3-methylbutanoic acid
CID 24936382
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
CID 309599
Nsc339916
CID 334514
4-[[(4-Methylphenyl)sulfonyl]amino]cyclohexanecarboxylic acid
CID 318781
4-(4-Methylbenzenesulfonamido)butanoic acid
CID 1714937
2-(4-Methylbenzenesulfonamido)propanoic acid
CID 362747
N-(biphenyl-4-ylsulfonyl)-D-leucine
CID 25271580
Biphenylsulfonamide carboxylate, 2
CID 24901472
2-(4''-Fluoro-biphenyl-4-sulfonylamino)-3-methyl-butyric acid
CID 10665624

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid (CID 15018450) is (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid is Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCCC(=O)O)cc1.
What is the InChIKey of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
The InChIKey is DDYLMISECFMAPL-ZZIRLFQASA-N. The full InChI is InChI=1S/C19H26FNO4S/c1-14-8-10-15(11-9-14)26(24,25)21-18-13-12-17(20)16(18)6-4-2-3-5-7-19(22)23/h2,4,8-11,16-18,21H,3,5-7,12-13H2,1H3,(H,22,23)/b4-2-/t16-,17+,18-/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid has a molecular weight of 383.49 g/mol, XLogP of 3.59, 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-methylphenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 15018450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).