sulfamoyl 2-benzoylbenzoate

C14H11NO5S — CID 174297680

IUPACsulfamoyl 2-benzoylbenzoate
SMILESNS(=O)(=O)OC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO5S/c15-21(18,19)20-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,(H2,15,18,19)
InChIKeyXEZURUPZWCZXEI-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.28
Rot. Bonds4

About sulfamoyl 2-benzoylbenzoate

sulfamoyl 2-benzoylbenzoate (PubChem CID 174297680) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is sulfamoyl 2-benzoylbenzoate.

Molecular Properties

Compound Namesulfamoyl 2-benzoylbenzoate
PubChem CID174297680
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Namesulfamoyl 2-benzoylbenzoate
SMILESNS(=O)(=O)OC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO5S/c15-21(18,19)20-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,(H2,15,18,19)
InChIKeyXEZURUPZWCZXEI-UHFFFAOYSA-N
XLogP1.28
TPSA103.53 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

amino 2-benzoylbenzoate
CID 19737509
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
2-methylpropyl 2-benzoylbenzoate
CID 142743650
(2-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate
CID 71271662
(2-aminophenyl)-phenylmethanone
CID 158207972
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
2-hydroxyhexyl 2-benzoylbenzoate
CID 155068883
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635

Frequently Asked Questions

What is the IUPAC name of sulfamoyl 2-benzoylbenzoate?
The IUPAC name of sulfamoyl 2-benzoylbenzoate (CID 174297680) is sulfamoyl 2-benzoylbenzoate.
What is the SMILES notation for sulfamoyl 2-benzoylbenzoate?
The canonical SMILES for sulfamoyl 2-benzoylbenzoate is NS(=O)(=O)OC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of sulfamoyl 2-benzoylbenzoate?
The InChIKey is XEZURUPZWCZXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c15-21(18,19)20-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,(H2,15,18,19).
What are the key properties of sulfamoyl 2-benzoylbenzoate?
sulfamoyl 2-benzoylbenzoate has a molecular weight of 305.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl 2-benzoylbenzoate is sourced from PubChem (CID 174297680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).