N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

C17H19ClN4O5S — CID 50889666

IUPACN-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NN)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19ClN4O5S/c1-11(23)20-13-4-6-14(7-5-13)28(25,26)22(10-17(24)21-19)15-9-12(18)3-8-16(15)27-2/h3-9H,10,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFWTKOMJZDCLMOS-UHFFFAOYSA-N
MW426.88 g/mol
LogP1.49
Rot. Bonds7

About N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (PubChem CID 50889666) has the molecular formula C17H19ClN4O5S and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
PubChem CID50889666
Molecular FormulaC17H19ClN4O5S
Molecular Weight426.88 g/mol
Exact Mass426.08
IUPAC NameN-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NN)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19ClN4O5S/c1-11(23)20-13-4-6-14(7-5-13)28(25,26)22(10-17(24)21-19)15-9-12(18)3-8-16(15)27-2/h3-9H,10,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFWTKOMJZDCLMOS-UHFFFAOYSA-N
XLogP1.49
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 43891744
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891741
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43876944
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (CID 50889666) is N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)NN)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is FWTKOMJZDCLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O5S/c1-11(23)20-13-4-6-14(7-5-13)28(25,26)22(10-17(24)21-19)15-9-12(18)3-8-16(15)27-2/h3-9H,10,19H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 426.88 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 50889666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).