potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate

C16H14ClKN2O5S — CID 23666853

IUPACpotassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate
SMILESC/C(=N\OS(=O)(=O)[O-])c1ccc(Cl)cc1NC(=O)c1ccccc1C.[K+]
InChIInChI=1S/C16H15ClN2O5S.K/c1-10-5-3-4-6-13(10)16(20)18-15-9-12(17)7-8-14(15)11(2)19-24-25(21,22)23;/h3-9H,1-2H3,(H,18,20)(H,21,22,23);/q;+1/p-1/b19-11+;
InChIKeyXFICZMNIIYRXLW-YLFUTEQJSA-M
MW420.92 g/mol
LogP0.11
Rot. Bonds5

About potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate

potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate (PubChem CID 23666853) has the molecular formula C16H14ClKN2O5S and a molecular weight of 420.92 g/mol. Its IUPAC name is potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate.

Molecular Properties

Compound Namepotassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate
PubChem CID23666853
Molecular FormulaC16H14ClKN2O5S
Molecular Weight420.92 g/mol
Exact Mass419.99
IUPAC Namepotassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate
SMILESC/C(=N\OS(=O)(=O)[O-])c1ccc(Cl)cc1NC(=O)c1ccccc1C.[K+]
InChIInChI=1S/C16H15ClN2O5S.K/c1-10-5-3-4-6-13(10)16(20)18-15-9-12(17)7-8-14(15)11(2)19-24-25(21,22)23;/h3-9H,1-2H3,(H,18,20)(H,21,22,23);/q;+1/p-1/b19-11+;
InChIKeyXFICZMNIIYRXLW-YLFUTEQJSA-M
XLogP0.11
TPSA107.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-(2-fluoro-5-sulfamoylphenyl)-2-methylbenzamide
CID 61129789
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126188766
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142

Frequently Asked Questions

What is the IUPAC name of potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate?
The IUPAC name of potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate (CID 23666853) is potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate.
What is the SMILES notation for potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate?
The canonical SMILES for potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate is C/C(=N\OS(=O)(=O)[O-])c1ccc(Cl)cc1NC(=O)c1ccccc1C.[K+].
What is the InChIKey of potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate?
The InChIKey is XFICZMNIIYRXLW-YLFUTEQJSA-M. The full InChI is InChI=1S/C16H15ClN2O5S.K/c1-10-5-3-4-6-13(10)16(20)18-15-9-12(17)7-8-14(15)11(2)19-24-25(21,22)23;/h3-9H,1-2H3,(H,18,20)(H,21,22,23);/q;+1/p-1/b19-11+;.
What are the key properties of potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate?
potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate has a molecular weight of 420.92 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(E)-1-[4-chloro-2-[(2-methylbenzoyl)amino]phenyl]ethylideneamino] sulfate is sourced from PubChem (CID 23666853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).