phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate

C16H17NO6S — CID 71420541

IUPACphenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate
SMILESCOCCOc1ccccc1S(=O)(=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C16H17NO6S/c1-21-11-12-22-14-9-5-6-10-15(14)24(19,20)17-16(18)23-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyWNHDOTKMULNXJD-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.19
Rot. Bonds7

About phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate

phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate (PubChem CID 71420541) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate
PubChem CID71420541
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Namephenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate
SMILESCOCCOc1ccccc1S(=O)(=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C16H17NO6S/c1-21-11-12-22-14-9-5-6-10-15(14)24(19,20)17-16(18)23-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyWNHDOTKMULNXJD-UHFFFAOYSA-N
XLogP2.19
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate?
The IUPAC name of phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate (CID 71420541) is phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate.
What is the SMILES notation for phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate?
The canonical SMILES for phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate is COCCOc1ccccc1S(=O)(=O)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate?
The InChIKey is WNHDOTKMULNXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-21-11-12-22-14-9-5-6-10-15(14)24(19,20)17-16(18)23-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate?
phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate has a molecular weight of 351.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate is sourced from PubChem (CID 71420541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).