(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid

C18H25NO4S — CID 67905182

IUPAC(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid
SMILESCc1cccc(S(=O)(=O)NC2(/C=C\CCCC(=O)O)CCCC2)c1
InChIInChI=1S/C18H25NO4S/c1-15-8-7-9-16(14-15)24(22,23)19-18(12-5-6-13-18)11-4-2-3-10-17(20)21/h4,7-9,11,14,19H,2-3,5-6,10,12-13H2,1H3,(H,20,21)/b11-4-
InChIKeyHWTNVASZKZVEQI-WCIBSUBMSA-N
MW351.47 g/mol
LogP3.40
Rot. Bonds8

About (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid

(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid (PubChem CID 67905182) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid
PubChem CID67905182
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid
SMILESCc1cccc(S(=O)(=O)NC2(/C=C\CCCC(=O)O)CCCC2)c1
InChIInChI=1S/C18H25NO4S/c1-15-8-7-9-16(14-15)24(22,23)19-18(12-5-6-13-18)11-4-2-3-10-17(20)21/h4,7-9,11,14,19H,2-3,5-6,10,12-13H2,1H3,(H,20,21)/b11-4-
InChIKeyHWTNVASZKZVEQI-WCIBSUBMSA-N
XLogP3.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid?
The IUPAC name of (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid (CID 67905182) is (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid.
What is the SMILES notation for (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid?
The canonical SMILES for (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid is Cc1cccc(S(=O)(=O)NC2(/C=C\CCCC(=O)O)CCCC2)c1.
What is the InChIKey of (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid?
The InChIKey is HWTNVASZKZVEQI-WCIBSUBMSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-15-8-7-9-16(14-15)24(22,23)19-18(12-5-6-13-18)11-4-2-3-10-17(20)21/h4,7-9,11,14,19H,2-3,5-6,10,12-13H2,1H3,(H,20,21)/b11-4-.
What are the key properties of (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid?
(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid has a molecular weight of 351.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid is sourced from PubChem (CID 67905182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).