benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate

C17H19N5O5S — CID 70471708

IUPACbenzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate
SMILESO=C(NC1CN(C(=O)NS(=O)(=O)Nc2ccncc2)C1)OCc1ccccc1
InChIInChI=1S/C17H19N5O5S/c23-16(21-28(25,26)20-14-6-8-18-9-7-14)22-10-15(11-22)19-17(24)27-12-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,18,20)(H,19,24)(H,21,23)
InChIKeyQZYZJMGCQLOJKG-UHFFFAOYSA-N
MW405.44 g/mol
LogP1.06
Rot. Bonds6

About benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate

benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate (PubChem CID 70471708) has the molecular formula C17H19N5O5S and a molecular weight of 405.44 g/mol. Its IUPAC name is benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate
PubChem CID70471708
Molecular FormulaC17H19N5O5S
Molecular Weight405.44 g/mol
Exact Mass405.11
IUPAC Namebenzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate
SMILESO=C(NC1CN(C(=O)NS(=O)(=O)Nc2ccncc2)C1)OCc1ccccc1
InChIInChI=1S/C17H19N5O5S/c23-16(21-28(25,26)20-14-6-8-18-9-7-14)22-10-15(11-22)19-17(24)27-12-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,18,20)(H,19,24)(H,21,23)
InChIKeyQZYZJMGCQLOJKG-UHFFFAOYSA-N
XLogP1.06
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate (CID 70471708) is benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate is O=C(NC1CN(C(=O)NS(=O)(=O)Nc2ccncc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate?
The InChIKey is QZYZJMGCQLOJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5S/c23-16(21-28(25,26)20-14-6-8-18-9-7-14)22-10-15(11-22)19-17(24)27-12-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,18,20)(H,19,24)(H,21,23).
What are the key properties of benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate?
benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate has a molecular weight of 405.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(pyridin-4-ylsulfamoylcarbamoyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 70471708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).