2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate

C10H16N2O8S2 — CID 54391670

IUPAC2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate
SMILESNS(=O)(=O)OCCOc1ccc(OCCOS(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O8S2/c11-21(13,14)19-7-5-17-9-1-2-10(4-3-9)18-6-8-20-22(12,15)16/h1-4H,5-8H2,(H2,11,13,14)(H2,12,15,16)
InChIKeyVHBFOUFNQLIOHO-UHFFFAOYSA-N
MW356.38 g/mol
LogP-1.12
Rot. Bonds10

About 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate

2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate (PubChem CID 54391670) has the molecular formula C10H16N2O8S2 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate.

Molecular Properties

Compound Name2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate
PubChem CID54391670
Molecular FormulaC10H16N2O8S2
Molecular Weight356.38 g/mol
Exact Mass356.03
IUPAC Name2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate
SMILESNS(=O)(=O)OCCOc1ccc(OCCOS(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O8S2/c11-21(13,14)19-7-5-17-9-1-2-10(4-3-9)18-6-8-20-22(12,15)16/h1-4H,5-8H2,(H2,11,13,14)(H2,12,15,16)
InChIKeyVHBFOUFNQLIOHO-UHFFFAOYSA-N
XLogP-1.12
TPSA157.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylsulfonyloxyethoxy)phenoxy]ethyl methanesulfonate
CID 11121773
(4-dodecoxyphenyl) sulfamate
CID 22892934
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
bis(2-(4-bromophenoxy)ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane);nickel(2+)
CID 23326300
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
2-phenoxyethanesulfonamide
CID 54595861
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
2-(3,4-dichlorophenoxy)ethyl methanesulfonate
CID 150853890
2-phenoxyethyl N-methylsulfonylsulfamate
CID 164746801
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate?
The IUPAC name of 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate (CID 54391670) is 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate.
What is the SMILES notation for 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate?
The canonical SMILES for 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate is NS(=O)(=O)OCCOc1ccc(OCCOS(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate?
The InChIKey is VHBFOUFNQLIOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8S2/c11-21(13,14)19-7-5-17-9-1-2-10(4-3-9)18-6-8-20-22(12,15)16/h1-4H,5-8H2,(H2,11,13,14)(H2,12,15,16).
What are the key properties of 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate?
2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate has a molecular weight of 356.38 g/mol, XLogP of -1.12, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-sulfamoyloxyethoxy)phenoxy]ethyl sulfamate is sourced from PubChem (CID 54391670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).