[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate

C20H17NO4S — CID 54525389

IUPAC[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H17NO4S/c1-13(2)20(22)25-18-11-10-14-6-3-4-9-17(14)19(18)15-7-5-8-16(12-15)26(21,23)24/h3-12H,1H2,2H3,(H2,21,23,24)
InChIKeyYSTMMPKNZIJGPY-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.64
Rot. Bonds4

About [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate

[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 54525389) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID54525389
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H17NO4S/c1-13(2)20(22)25-18-11-10-14-6-3-4-9-17(14)19(18)15-7-5-8-16(12-15)26(21,23)24/h3-12H,1H2,2H3,(H2,21,23,24)
InChIKeyYSTMMPKNZIJGPY-UHFFFAOYSA-N
XLogP3.64
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
fluoranthen-1-yl 2-methylprop-2-enoate
CID 164546772
(9-anthracen-1-ylanthracen-1-yl) 2-methylprop-2-enoate
CID 155226956
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
CID 138462496
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927
1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
CID 81432897

Frequently Asked Questions

What is the IUPAC name of [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate (CID 54525389) is [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is YSTMMPKNZIJGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-13(2)20(22)25-18-11-10-14-6-3-4-9-17(14)19(18)15-7-5-8-16(12-15)26(21,23)24/h3-12H,1H2,2H3,(H2,21,23,24).
What are the key properties of [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate?
[1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 367.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-sulfamoylphenyl)naphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54525389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).