pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate

C20H18N2O4S — CID 18136103

IUPACpyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(OCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H18N2O4S/c23-20(26-15-18-10-4-5-12-21-18)17-9-6-11-19(13-17)27(24,25)22-14-16-7-2-1-3-8-16/h1-13,22H,14-15H2
InChIKeyHKFBZCYGPJSDRI-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.92
Rot. Bonds7

About pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate

pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate (PubChem CID 18136103) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
PubChem CID18136103
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Namepyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(OCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H18N2O4S/c23-20(26-15-18-10-4-5-12-21-18)17-9-6-11-19(13-17)27(24,25)22-14-16-7-2-1-3-8-16/h1-13,22H,14-15H2
InChIKeyHKFBZCYGPJSDRI-UHFFFAOYSA-N
XLogP2.92
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl 3-(benzenesulfonylmethyl)benzoate
CID 60562778
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 55543565
cyclohexylmethyl 3-(benzylsulfamoyl)benzoate
CID 7666483
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25038980
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520940
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate?
The IUPAC name of pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate (CID 18136103) is pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate is O=C(OCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate?
The InChIKey is HKFBZCYGPJSDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-20(26-15-18-10-4-5-12-21-18)17-9-6-11-19(13-17)27(24,25)22-14-16-7-2-1-3-8-16/h1-13,22H,14-15H2.
What are the key properties of pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate?
pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate has a molecular weight of 382.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 18136103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).