benzenesulfonamido N,N-diethylcarbamate

C11H16N2O4S — CID 10564104

IUPACbenzenesulfonamido N,N-diethylcarbamate
SMILESCCN(CC)C(=O)ONS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-3-13(4-2)11(14)17-12-18(15,16)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKeyJIXUNWURRNWRDG-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.36
Rot. Bonds5

About benzenesulfonamido N,N-diethylcarbamate

benzenesulfonamido N,N-diethylcarbamate (PubChem CID 10564104) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is benzenesulfonamido N,N-diethylcarbamate.

Molecular Properties

Compound Namebenzenesulfonamido N,N-diethylcarbamate
PubChem CID10564104
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namebenzenesulfonamido N,N-diethylcarbamate
SMILESCCN(CC)C(=O)ONS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-3-13(4-2)11(14)17-12-18(15,16)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKeyJIXUNWURRNWRDG-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonamido N,N-diethylcarbamate?
The IUPAC name of benzenesulfonamido N,N-diethylcarbamate (CID 10564104) is benzenesulfonamido N,N-diethylcarbamate.
What is the SMILES notation for benzenesulfonamido N,N-diethylcarbamate?
The canonical SMILES for benzenesulfonamido N,N-diethylcarbamate is CCN(CC)C(=O)ONS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamido N,N-diethylcarbamate?
The InChIKey is JIXUNWURRNWRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-13(4-2)11(14)17-12-18(15,16)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3.
What are the key properties of benzenesulfonamido N,N-diethylcarbamate?
benzenesulfonamido N,N-diethylcarbamate has a molecular weight of 272.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamido N,N-diethylcarbamate is sourced from PubChem (CID 10564104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).