benzoylsulfamoyl benzoate

C14H11NO5S — CID 57250029

IUPACbenzoylsulfamoyl benzoate
SMILESO=C(NS(=O)(=O)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO5S/c16-13(11-7-3-1-4-8-11)15-21(18,19)20-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16)
InChIKeyGMCWPVTUBCACJI-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.52
Rot. Bonds4

About benzoylsulfamoyl benzoate

benzoylsulfamoyl benzoate (PubChem CID 57250029) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is benzoylsulfamoyl benzoate.

Molecular Properties

Compound Namebenzoylsulfamoyl benzoate
PubChem CID57250029
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Namebenzoylsulfamoyl benzoate
SMILESO=C(NS(=O)(=O)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO5S/c16-13(11-7-3-1-4-8-11)15-21(18,19)20-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16)
InChIKeyGMCWPVTUBCACJI-UHFFFAOYSA-N
XLogP1.52
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-benzoylsulfamate
CID 165129244
CID 159335487
CID 159335487
alumane;azane;sulfo benzoate
CID 173410767
trifluoromethylsulfonyl benzoate
CID 11064956
chlorosulfonyl benzoate;hydrochloride
CID 87590926
N-(ethylsulfamoyl)benzamide
CID 154250118
calcium;hydride;propyl N-benzoylsulfamate
CID 174416476
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
difluoromethylsulfonyl benzoate
CID 172735189
N-hydroxybenzamide;nickel
CID 88846751
sodium;hydride;phenoxysulfonyl benzoate
CID 174270094
dibenzoyloxyboranyl benzoate
CID 139803166

Frequently Asked Questions

What is the IUPAC name of benzoylsulfamoyl benzoate?
The IUPAC name of benzoylsulfamoyl benzoate (CID 57250029) is benzoylsulfamoyl benzoate.
What is the SMILES notation for benzoylsulfamoyl benzoate?
The canonical SMILES for benzoylsulfamoyl benzoate is O=C(NS(=O)(=O)OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoylsulfamoyl benzoate?
The InChIKey is GMCWPVTUBCACJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c16-13(11-7-3-1-4-8-11)15-21(18,19)20-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16).
What are the key properties of benzoylsulfamoyl benzoate?
benzoylsulfamoyl benzoate has a molecular weight of 305.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoylsulfamoyl benzoate is sourced from PubChem (CID 57250029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).