pyridin-3-yl 3-(diethylsulfamoyl)benzoate

C16H18N2O4S — CID 644465

IUPACpyridin-3-yl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccnc2)c1
InChIInChI=1S/C16H18N2O4S/c1-3-18(4-2)23(20,21)15-9-5-7-13(11-15)16(19)22-14-8-6-10-17-12-14/h5-12H,3-4H2,1-2H3
InChIKeyOXESAUALZYBJKE-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.33
Rot. Bonds6

About pyridin-3-yl 3-(diethylsulfamoyl)benzoate

pyridin-3-yl 3-(diethylsulfamoyl)benzoate (PubChem CID 644465) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is pyridin-3-yl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Namepyridin-3-yl 3-(diethylsulfamoyl)benzoate
PubChem CID644465
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namepyridin-3-yl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccnc2)c1
InChIInChI=1S/C16H18N2O4S/c1-3-18(4-2)23(20,21)15-9-5-7-13(11-15)16(19)22-14-8-6-10-17-12-14/h5-12H,3-4H2,1-2H3
InChIKeyOXESAUALZYBJKE-UHFFFAOYSA-N
XLogP2.33
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of pyridin-3-yl 3-(diethylsulfamoyl)benzoate (CID 644465) is pyridin-3-yl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for pyridin-3-yl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for pyridin-3-yl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccnc2)c1.
What is the InChIKey of pyridin-3-yl 3-(diethylsulfamoyl)benzoate?
The InChIKey is OXESAUALZYBJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-18(4-2)23(20,21)15-9-5-7-13(11-15)16(19)22-14-8-6-10-17-12-14/h5-12H,3-4H2,1-2H3.
What are the key properties of pyridin-3-yl 3-(diethylsulfamoyl)benzoate?
pyridin-3-yl 3-(diethylsulfamoyl)benzoate has a molecular weight of 334.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 644465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).