N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide

C16H17N3O4S — CID 135431303

IUPACN-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C(/C)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O4S/c1-11(15-5-3-4-6-16(15)21)18-19-24(22,23)14-9-7-13(8-10-14)17-12(2)20/h3-10,19,21H,1-2H3,(H,17,20)/b18-11-
InChIKeyDCOVICQNUYZOMX-WQRHYEAKSA-N
MW347.40 g/mol
LogP2.05
Rot. Bonds5

About N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 135431303) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID135431303
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C(/C)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O4S/c1-11(15-5-3-4-6-16(15)21)18-19-24(22,23)14-9-7-13(8-10-14)17-12(2)20/h3-10,19,21H,1-2H3,(H,17,20)/b18-11-
InChIKeyDCOVICQNUYZOMX-WQRHYEAKSA-N
XLogP2.05
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
CID 135958055
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135431297
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679456
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
CID 135647660

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide (CID 135431303) is N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C(/C)c2ccccc2O)cc1.
What is the InChIKey of N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is DCOVICQNUYZOMX-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11(15-5-3-4-6-16(15)21)18-19-24(22,23)14-9-7-13(8-10-14)17-12(2)20/h3-10,19,21H,1-2H3,(H,17,20)/b18-11-.
What are the key properties of N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 135431303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).