N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide

C15H15N3O5S — CID 135958055

IUPACN-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1
InChIInChI=1S/C15H15N3O5S/c1-10(19)17-12-5-7-13(8-6-12)24(22,23)18-16-9-11-3-2-4-14(20)15(11)21/h2-9,18,20-21H,1H3,(H,17,19)/b16-9-
InChIKeyKSVKSEHVVWDXIN-SXGWCWSVSA-N
MW349.37 g/mol
LogP1.37
Rot. Bonds5

About N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 135958055) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID135958055
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1
InChIInChI=1S/C15H15N3O5S/c1-10(19)17-12-5-7-13(8-6-12)24(22,23)18-16-9-11-3-2-4-14(20)15(11)21/h2-9,18,20-21H,1H3,(H,17,19)/b16-9-
InChIKeyKSVKSEHVVWDXIN-SXGWCWSVSA-N
XLogP1.37
TPSA128.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
4-[(2R)-butan-2-yl]-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135958045
3-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-N,2-dihydroxybenzeneamine oxide
CID 135800995
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
4-fluoro-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455624
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[5-[[(E)-(2-hydroxyphenyl)methylideneamino]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 171714660
N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide
CID 4914110
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide (CID 135958055) is N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1.
What is the InChIKey of N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is KSVKSEHVVWDXIN-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10(19)17-12-5-7-13(8-6-12)24(22,23)18-16-9-11-3-2-4-14(20)15(11)21/h2-9,18,20-21H,1H3,(H,17,19)/b16-9-.
What are the key properties of N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 349.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 135958055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).