N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C15H12N2O5S — CID 667575

IUPACN-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H12N2O5S/c18-11-7-5-10(6-8-11)16-14(19)9-17-15(20)12-3-1-2-4-13(12)23(17,21)22/h1-8,18H,9H2,(H,16,19)
InChIKeyPUPNJSIFIXXJCH-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.18
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 667575) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID667575
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC NameN-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H12N2O5S/c18-11-7-5-10(6-8-11)16-14(19)9-17-15(20)12-3-1-2-4-13(12)23(17,21)22/h1-8,18H,9H2,(H,16,19)
InChIKeyPUPNJSIFIXXJCH-UHFFFAOYSA-N
XLogP1.18
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-Benzisothiazole-2-acetamide, 6-fluoro-2,3-dihydro-N-(4-methoxyphenyl)-3-oxo-
CID 5304230
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947616
5-[4-(4-Hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 44825297
2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide
CID 146623941
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(4-hydroxyphenyl)acetamide
CID 3329233
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-hydroxyphenyl)propanamide
CID 835181
2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-ethoxyphenyl)propanamide
CID 16831166
N-(3-Hydroxyphenyl)-3-(pyrrolidin-1-ylsulfonyl)benzamide
CID 648227
2-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CID 1006756
2-[[2-(4-Hydroxyanilino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 9928348
2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 146623978

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 667575) is N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is PUPNJSIFIXXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c18-11-7-5-10(6-8-11)16-14(19)9-17-15(20)12-3-1-2-4-13(12)23(17,21)22/h1-8,18H,9H2,(H,16,19).
What are the key properties of N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 332.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 667575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).