[2-(benzenesulfonamido)phenyl] propanoate

C15H15NO4S — CID 68830136

IUPAC[2-(benzenesulfonamido)phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-2-15(17)20-14-11-7-6-10-13(14)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3
InChIKeyTUQDSGOZPOTBSE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.80
Rot. Bonds5

About [2-(benzenesulfonamido)phenyl] propanoate

[2-(benzenesulfonamido)phenyl] propanoate (PubChem CID 68830136) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-(benzenesulfonamido)phenyl] propanoate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)phenyl] propanoate
PubChem CID68830136
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[2-(benzenesulfonamido)phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-2-15(17)20-14-11-7-6-10-13(14)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3
InChIKeyTUQDSGOZPOTBSE-UHFFFAOYSA-N
XLogP2.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(propan-2-ylamino)phenyl] propanoate
CID 166978043
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-[2-[2-(benzenesulfonamido)phenoxy]ethoxy]benzoic acid
CID 68688333
(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
CID 141071550
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
[2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyphenyl] propanoate
CID 135315524
ethyl 4-[5-amino-2-(benzenesulfonamido)phenoxy]butanoate
CID 59419102
ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56547990
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)phenyl] propanoate?
The IUPAC name of [2-(benzenesulfonamido)phenyl] propanoate (CID 68830136) is [2-(benzenesulfonamido)phenyl] propanoate.
What is the SMILES notation for [2-(benzenesulfonamido)phenyl] propanoate?
The canonical SMILES for [2-(benzenesulfonamido)phenyl] propanoate is CCC(=O)Oc1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonamido)phenyl] propanoate?
The InChIKey is TUQDSGOZPOTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-15(17)20-14-11-7-6-10-13(14)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3.
What are the key properties of [2-(benzenesulfonamido)phenyl] propanoate?
[2-(benzenesulfonamido)phenyl] propanoate has a molecular weight of 305.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)phenyl] propanoate is sourced from PubChem (CID 68830136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).