ethyl N-(benzenesulfonyl)sulfamate

C8H11NO5S2 — CID 146355188

IUPACethyl N-(benzenesulfonyl)sulfamate
SMILESCCOS(=O)(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO5S2/c1-2-14-16(12,13)9-15(10,11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyMEYXLEFQVHRASO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.25
Rot. Bonds5

About ethyl N-(benzenesulfonyl)sulfamate

ethyl N-(benzenesulfonyl)sulfamate (PubChem CID 146355188) has the molecular formula C8H11NO5S2 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl N-(benzenesulfonyl)sulfamate.

Molecular Properties

Compound Nameethyl N-(benzenesulfonyl)sulfamate
PubChem CID146355188
Molecular FormulaC8H11NO5S2
Molecular Weight265.31 g/mol
Exact Mass265.01
IUPAC Nameethyl N-(benzenesulfonyl)sulfamate
SMILESCCOS(=O)(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO5S2/c1-2-14-16(12,13)9-15(10,11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyMEYXLEFQVHRASO-UHFFFAOYSA-N
XLogP0.25
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-sulfamoylbenzenesulfonamide
CID 54343510
2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl N-(benzenesulfonyl)sulfamate
CID 70686348
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
N-benzylsulfonylbenzenesulfonamide
CID 102116917
butyl benzenesulfonate;ethyl benzenesulfonate
CID 22372625
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
CID 126606304
N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide
CID 6284996

Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzenesulfonyl)sulfamate?
The IUPAC name of ethyl N-(benzenesulfonyl)sulfamate (CID 146355188) is ethyl N-(benzenesulfonyl)sulfamate.
What is the SMILES notation for ethyl N-(benzenesulfonyl)sulfamate?
The canonical SMILES for ethyl N-(benzenesulfonyl)sulfamate is CCOS(=O)(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl N-(benzenesulfonyl)sulfamate?
The InChIKey is MEYXLEFQVHRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S2/c1-2-14-16(12,13)9-15(10,11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl N-(benzenesulfonyl)sulfamate?
ethyl N-(benzenesulfonyl)sulfamate has a molecular weight of 265.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzenesulfonyl)sulfamate is sourced from PubChem (CID 146355188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).