N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide

C15H14ClN3O4S — CID 135747213

IUPACN-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClN3O4S/c1-10(20)18-13-3-5-14(6-4-13)24(22,23)19-17-9-11-8-12(16)2-7-15(11)21/h2-9,19,21H,1H3,(H,18,20)/b17-9+
InChIKeyHHVCWUQFAKYJLP-RQZCQDPDSA-N
MW367.81 g/mol
LogP2.32
Rot. Bonds5

About N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 135747213) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID135747213
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC NameN-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClN3O4S/c1-10(20)18-13-3-5-14(6-4-13)24(22,23)19-17-9-11-8-12(16)2-7-15(11)21/h2-9,19,21H,1H3,(H,18,20)/b17-9+
InChIKeyHHVCWUQFAKYJLP-RQZCQDPDSA-N
XLogP2.32
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.32
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

4-[(5-Chloro-2-hydroxybenzyl)amino]benzenesulfonamide
CID 29034199
N''-(2-hydroxybenzylidene)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetohydrazide
CID 135537472
4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]benzenesulfonamide
CID 792066
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
N-Acetyl-4-((3,5-dichloro-2-hydroxybenzylidene)amino)benzenesulfonamide
CID 308412
N-acetyl-4-[(2-hydroxy-benzylidene)-amino]-benzenesulfonamide
CID 309214
N-{3-[(E)-[(5-Chloro-2-hydroxyphenyl)methylidene]amino]phenyl}acetamide
CID 758517
5-Chloro-2-hydroxybenzylidene aminobenzene sulfonamide
CID 168011402
N-(3-chlorophenyl)-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
CID 135489917
N-[4-[[(4-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
CID 229218
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3108708
(4-Chloro-2-methylphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate
CID 20385145

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide (CID 135747213) is N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is HHVCWUQFAKYJLP-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c1-10(20)18-13-3-5-14(6-4-13)24(22,23)19-17-9-11-8-12(16)2-7-15(11)21/h2-9,19,21H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 367.81 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 135747213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).