4-[(4-ethenylphenyl)sulfonylamino]butanoic acid

C12H15NO4S — CID 122067599

IUPAC4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
SMILESC=Cc1ccc(S(=O)(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C12H15NO4S/c1-2-10-5-7-11(8-6-10)18(16,17)13-9-3-4-12(14)15/h2,5-8,13H,1,3-4,9H2,(H,14,15)
InChIKeyUTNNCWQNVHBDPN-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.47
Rot. Bonds7

About 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid

4-[(4-ethenylphenyl)sulfonylamino]butanoic acid (PubChem CID 122067599) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
PubChem CID122067599
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
SMILESC=Cc1ccc(S(=O)(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C12H15NO4S/c1-2-10-5-7-11(8-6-10)18(16,17)13-9-3-4-12(14)15/h2,5-8,13H,1,3-4,9H2,(H,14,15)
InChIKeyUTNNCWQNVHBDPN-UHFFFAOYSA-N
XLogP1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
N-butyl-4-ethenylbenzenesulfonamide
CID 20722248
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
4-ethenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]benzenesulfonamide;hydrochloride
CID 11452522
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 100820374
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
CID 171726310

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid (CID 122067599) is 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid is C=Cc1ccc(S(=O)(=O)NCCCC(=O)O)cc1.
What is the InChIKey of 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid?
The InChIKey is UTNNCWQNVHBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-2-10-5-7-11(8-6-10)18(16,17)13-9-3-4-12(14)15/h2,5-8,13H,1,3-4,9H2,(H,14,15).
What are the key properties of 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid?
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethenylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 122067599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).