2-(naphthalen-2-ylsulfonylamino)ethyl benzoate

C19H17NO4S — CID 174429749

IUPAC2-(naphthalen-2-ylsulfonylamino)ethyl benzoate
SMILESO=C(OCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-19(16-7-2-1-3-8-16)24-13-12-20-25(22,23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,20H,12-13H2
InChIKeyOLUIBMRPPNEMGT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.98
Rot. Bonds6

About 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate

2-(naphthalen-2-ylsulfonylamino)ethyl benzoate (PubChem CID 174429749) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)ethyl benzoate
PubChem CID174429749
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name2-(naphthalen-2-ylsulfonylamino)ethyl benzoate
SMILESO=C(OCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-19(16-7-2-1-3-8-16)24-13-12-20-25(22,23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,20H,12-13H2
InChIKeyOLUIBMRPPNEMGT-UHFFFAOYSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
2-[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxyethyl benzoate
CID 42977014
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate (CID 174429749) is 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate is O=C(OCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate?
The InChIKey is OLUIBMRPPNEMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-19(16-7-2-1-3-8-16)24-13-12-20-25(22,23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,20H,12-13H2.
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate?
2-(naphthalen-2-ylsulfonylamino)ethyl benzoate has a molecular weight of 355.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)ethyl benzoate is sourced from PubChem (CID 174429749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).