phenyl N-benzoylsulfamate

C13H11NO4S — CID 165129244

IUPACphenyl N-benzoylsulfamate
SMILESO=C(NS(=O)(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO4S/c15-13(11-7-3-1-4-8-11)14-19(16,17)18-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeyUCHLUKVTKFBFDL-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.74
Rot. Bonds4

About phenyl N-benzoylsulfamate

phenyl N-benzoylsulfamate (PubChem CID 165129244) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is phenyl N-benzoylsulfamate.

Molecular Properties

Compound Namephenyl N-benzoylsulfamate
PubChem CID165129244
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Namephenyl N-benzoylsulfamate
SMILESO=C(NS(=O)(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO4S/c15-13(11-7-3-1-4-8-11)14-19(16,17)18-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeyUCHLUKVTKFBFDL-UHFFFAOYSA-N
XLogP1.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzoylsulfamoyl benzoate
CID 57250029
phenyl N-butanoylsulfamate
CID 67481345
calcium;hydride;propyl N-benzoylsulfamate
CID 174416476
(4-methylphenyl) N-phenoxysulfonylcarbamate
CID 142655832
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
phenyl N-phenylsulfamate
CID 13042751
sodium;hydride;phenyl oxo(phenyl)methanesulfonate
CID 174406653
[4-(trifluoromethylsulfonylcarbamoyl)phenyl] benzenesulfonate
CID 155170716
phenyl N-benzoylcarbamate
CID 66560330
N-(ethylsulfamoyl)benzamide
CID 154250118
N-hydroxybenzamide;nickel
CID 88846751
sodium;hydride;phenoxysulfonyl benzoate
CID 174270094

Frequently Asked Questions

What is the IUPAC name of phenyl N-benzoylsulfamate?
The IUPAC name of phenyl N-benzoylsulfamate (CID 165129244) is phenyl N-benzoylsulfamate.
What is the SMILES notation for phenyl N-benzoylsulfamate?
The canonical SMILES for phenyl N-benzoylsulfamate is O=C(NS(=O)(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl N-benzoylsulfamate?
The InChIKey is UCHLUKVTKFBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-13(11-7-3-1-4-8-11)14-19(16,17)18-12-9-5-2-6-10-12/h1-10H,(H,14,15).
What are the key properties of phenyl N-benzoylsulfamate?
phenyl N-benzoylsulfamate has a molecular weight of 277.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-benzoylsulfamate is sourced from PubChem (CID 165129244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).