(Z)-9-(benzenesulfonamido)non-5-enoic acid

C15H21NO4S — CID 15052909

IUPAC(Z)-9-(benzenesulfonamido)non-5-enoic acid
SMILESO=C(O)CCC/C=C\CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(18)12-8-3-1-2-4-9-13-16-21(19,20)14-10-6-5-7-11-14/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2,(H,17,18)/b2-1-
InChIKeyOUMPGEOOYZYXNI-UPHRSURJSA-N
MW311.40 g/mol
LogP2.56
Rot. Bonds10

About (Z)-9-(benzenesulfonamido)non-5-enoic acid

(Z)-9-(benzenesulfonamido)non-5-enoic acid (PubChem CID 15052909) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (Z)-9-(benzenesulfonamido)non-5-enoic acid.

Molecular Properties

Compound Name(Z)-9-(benzenesulfonamido)non-5-enoic acid
PubChem CID15052909
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(Z)-9-(benzenesulfonamido)non-5-enoic acid
SMILESO=C(O)CCC/C=C\CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(18)12-8-3-1-2-4-9-13-16-21(19,20)14-10-6-5-7-11-14/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2,(H,17,18)/b2-1-
InChIKeyOUMPGEOOYZYXNI-UPHRSURJSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.56
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

1-[11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 77140945
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
(E)-7-[(4R,5R)-5-(benzenesulfonamidomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-5-enoic acid
CID 10408509
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
CID 122067599
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
CID 10810370
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885

Frequently Asked Questions

What is the IUPAC name of (Z)-9-(benzenesulfonamido)non-5-enoic acid?
The IUPAC name of (Z)-9-(benzenesulfonamido)non-5-enoic acid (CID 15052909) is (Z)-9-(benzenesulfonamido)non-5-enoic acid.
What is the SMILES notation for (Z)-9-(benzenesulfonamido)non-5-enoic acid?
The canonical SMILES for (Z)-9-(benzenesulfonamido)non-5-enoic acid is O=C(O)CCC/C=C\CCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-9-(benzenesulfonamido)non-5-enoic acid?
The InChIKey is OUMPGEOOYZYXNI-UPHRSURJSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-15(18)12-8-3-1-2-4-9-13-16-21(19,20)14-10-6-5-7-11-14/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2,(H,17,18)/b2-1-.
What are the key properties of (Z)-9-(benzenesulfonamido)non-5-enoic acid?
(Z)-9-(benzenesulfonamido)non-5-enoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-(benzenesulfonamido)non-5-enoic acid is sourced from PubChem (CID 15052909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).