2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide

C16H17N3O5S — CID 146623941

IUPAC2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H17N3O5S/c1-17-16(22)13-4-2-3-5-14(13)25(23,24)18-10-15(21)19-11-6-8-12(20)9-7-11/h2-9,18,20H,10H2,1H3,(H,17,22)(H,19,21)
InChIKeyYEABPXBNCMTIRY-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.67
Rot. Bonds6

About 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide

2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide (PubChem CID 146623941) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide
PubChem CID146623941
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H17N3O5S/c1-17-16(22)13-4-2-3-5-14(13)25(23,24)18-10-15(21)19-11-6-8-12(20)9-7-11/h2-9,18,20H,10H2,1H3,(H,17,22)(H,19,21)
InChIKeyYEABPXBNCMTIRY-UHFFFAOYSA-N
XLogP0.67
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Azepane-1-sulfonyl)-N-(3-hydroxy-phenyl)-4-methyl-benzamide
CID 1333163
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
Scp-1
CID 667575
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
N-cyclopentyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2684461
3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 4014857
N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8895518
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 16196679
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24978734
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24981256

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide?
The IUPAC name of 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide (CID 146623941) is 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide is CNC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide?
The InChIKey is YEABPXBNCMTIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-17-16(22)13-4-2-3-5-14(13)25(23,24)18-10-15(21)19-11-6-8-12(20)9-7-11/h2-9,18,20H,10H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide?
2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide has a molecular weight of 363.40 g/mol, XLogP of 0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 146623941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).