2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate

C15H17N3O4S — CID 91276890

IUPAC2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OS(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C15H17N3O4S/c19-15(17-12-13-6-2-1-3-7-13)22-23(20,21)18-11-9-14-8-4-5-10-16-14/h1-8,10,18H,9,11-12H2,(H,17,19)
InChIKeyYWUHQKXYYRPNDU-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.38
Rot. Bonds7

About 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate

2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate (PubChem CID 91276890) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate.

Molecular Properties

Compound Name2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate
PubChem CID91276890
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OS(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C15H17N3O4S/c19-15(17-12-13-6-2-1-3-7-13)22-23(20,21)18-11-9-14-8-4-5-10-16-14/h1-8,10,18H,9,11-12H2,(H,17,19)
InChIKeyYWUHQKXYYRPNDU-UHFFFAOYSA-N
XLogP1.38
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propylsulfamoyl N-benzylcarbamate
CID 90890692
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CID 3109924
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
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2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
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2-[2-(benzylsulfamoyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
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5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
N-benzyl-2-(4-pyridin-2-ylbutyl)-1,3-thiazole-4-carboxamide
CID 160926011
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CID 81485528

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate?
The IUPAC name of 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate (CID 91276890) is 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate.
What is the SMILES notation for 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate?
The canonical SMILES for 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate is O=C(NCc1ccccc1)OS(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate?
The InChIKey is YWUHQKXYYRPNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-15(17-12-13-6-2-1-3-7-13)22-23(20,21)18-11-9-14-8-4-5-10-16-14/h1-8,10,18H,9,11-12H2,(H,17,19).
What are the key properties of 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate?
2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate has a molecular weight of 335.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate is sourced from PubChem (CID 91276890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).