N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide

C21H24ClN3O7S — CID 24656139

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24ClN3O7S/c1-14-11-16(22)4-6-17(14)32-13-20(26)23-24-21(27)15-3-5-18(30-2)19(12-15)33(28,29)25-7-9-31-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZYCCNLJHWLOXAK-UHFFFAOYSA-N
MW497.96 g/mol
LogP1.52
Rot. Bonds7

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 24656139) has the molecular formula C21H24ClN3O7S and a molecular weight of 497.96 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID24656139
Molecular FormulaC21H24ClN3O7S
Molecular Weight497.96 g/mol
Exact Mass497.10
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24ClN3O7S/c1-14-11-16(22)4-6-17(14)32-13-20(26)23-24-21(27)15-3-5-18(30-2)19(12-15)33(28,29)25-7-9-31-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZYCCNLJHWLOXAK-UHFFFAOYSA-N
XLogP1.52
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528605
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 24981818
N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2514778
N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2682721
2-chloro-N'-(4-ethoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 25161543
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 25161723
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-(morpholine-4-sulfonyl)benzohydrazide
CID 2533167
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzohydrazide
CID 71267393
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfanylbenzohydrazide
CID 138615615
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide
CID 138615752
2-chloro-N,N-diethyl-5-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2091170
2-chloro-N,N-diethyl-5-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2515645

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide (CID 24656139) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is ZYCCNLJHWLOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O7S/c1-14-11-16(22)4-6-17(14)32-13-20(26)23-24-21(27)15-3-5-18(30-2)19(12-15)33(28,29)25-7-9-31-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 497.96 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 24656139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).