N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide

C15H11NO4S — CID 118737269

IUPACN-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1
InChIInChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)
InChIKeyZMFIHECYAFMGFR-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.63
Rot. Bonds2

About N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide

N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide (PubChem CID 118737269) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide
PubChem CID118737269
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC NameN-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1
InChIInChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)
InChIKeyZMFIHECYAFMGFR-UHFFFAOYSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-iodobenzamide
CID 118737272
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(8-benzamidothianthren-2-yl)benzamide
CID 19906687
4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 1327317
N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
CID 139221686
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]benzamide
CID 25212194
molecular hydrogen;N-phenylbenzamide
CID 145238042
(4-benzamidophenyl) acetate
CID 34734144
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(3-dimethylphosphoryl-4-hydroxyphenyl)benzamide
CID 18684485
3,5-dibenzamido-N-phenylbenzamide
CID 17340966

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide?
The IUPAC name of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide (CID 118737269) is N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide.
What is the SMILES notation for N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide?
The canonical SMILES for N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide is O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1.
What is the InChIKey of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide?
The InChIKey is ZMFIHECYAFMGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17).
What are the key properties of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide?
N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide has a molecular weight of 301.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide is sourced from PubChem (CID 118737269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).