benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate

C20H26N2O5S — CID 135022659

IUPACbenzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate
SMILESNS(=O)(=O)OC(CCCNC(=O)OCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H26N2O5S/c21-28(24,25)27-19(14-13-17-8-3-1-4-9-17)12-7-15-22-20(23)26-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,23)(H2,21,24,25)
InChIKeyKXMLNFMBMRZQJV-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.91
Rot. Bonds11

About benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate

benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate (PubChem CID 135022659) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate
PubChem CID135022659
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Namebenzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate
SMILESNS(=O)(=O)OC(CCCNC(=O)OCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H26N2O5S/c21-28(24,25)27-19(14-13-17-8-3-1-4-9-17)12-7-15-22-20(23)26-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,23)(H2,21,24,25)
InChIKeyKXMLNFMBMRZQJV-UHFFFAOYSA-N
XLogP2.91
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate?
The IUPAC name of benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate (CID 135022659) is benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate.
What is the SMILES notation for benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate?
The canonical SMILES for benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate is NS(=O)(=O)OC(CCCNC(=O)OCc1ccccc1)CCc1ccccc1.
What is the InChIKey of benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate?
The InChIKey is KXMLNFMBMRZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c21-28(24,25)27-19(14-13-17-8-3-1-4-9-17)12-7-15-22-20(23)26-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,23)(H2,21,24,25).
What are the key properties of benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate?
benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate has a molecular weight of 406.50 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-phenyl-4-sulfamoyloxyhexyl)carbamate is sourced from PubChem (CID 135022659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).