2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid

C16H21NO5S — CID 166258390

IUPAC2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC2CC/C=C\CCC2)cc1
InChIInChI=1S/C16H21NO5S/c18-16(19)12-22-14-8-10-15(11-9-14)23(20,21)17-13-6-4-2-1-3-5-7-13/h1-2,8-11,13,17H,3-7,12H2,(H,18,19)/b2-1-
InChIKeySPIPOOAPOXXSNJ-UPHRSURJSA-N
MW339.41 g/mol
LogP2.32
Rot. Bonds6

About 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid

2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid (PubChem CID 166258390) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
PubChem CID166258390
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC2CC/C=C\CCC2)cc1
InChIInChI=1S/C16H21NO5S/c18-16(19)12-22-14-8-10-15(11-9-14)23(20,21)17-13-6-4-2-1-3-5-7-13/h1-2,8-11,13,17H,3-7,12H2,(H,18,19)/b2-1-
InChIKeySPIPOOAPOXXSNJ-UPHRSURJSA-N
XLogP2.32
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
CID 167982876
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 1084693
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149
1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid (CID 166258390) is 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NC2CC/C=C\CCC2)cc1.
What is the InChIKey of 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid?
The InChIKey is SPIPOOAPOXXSNJ-UPHRSURJSA-N. The full InChI is InChI=1S/C16H21NO5S/c18-16(19)12-22-14-8-10-15(11-9-14)23(20,21)17-13-6-4-2-1-3-5-7-13/h1-2,8-11,13,17H,3-7,12H2,(H,18,19)/b2-1-.
What are the key properties of 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid?
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid has a molecular weight of 339.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 166258390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).