N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide

C19H19ClFN3O6S — CID 2528605

IUPACN'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19ClFN3O6S/c1-29-16-5-3-13(20)11-14(16)19(26)23-22-18(25)12-2-4-15(21)17(10-12)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyMSIKLLGHHLIWDU-UHFFFAOYSA-N
MW471.89 g/mol
LogP1.58
Rot. Bonds5

About N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2528605) has the molecular formula C19H19ClFN3O6S and a molecular weight of 471.89 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2528605
Molecular FormulaC19H19ClFN3O6S
Molecular Weight471.89 g/mol
Exact Mass471.07
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19ClFN3O6S/c1-29-16-5-3-13(20)11-14(16)19(26)23-22-18(25)12-2-4-15(21)17(10-12)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyMSIKLLGHHLIWDU-UHFFFAOYSA-N
XLogP1.58
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4795157
1-[5-Chloro-2-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8522549
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24656139
5-chloro-2-hydroxy-N''-(3-morpholinosulfonylbenzoyl)benzohydrazide
CID 24981101
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 24981818
2-fluoro-N'-(2-hydroxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 71267389
3-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 2664271
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 16302735
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
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125608

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2528605) is N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is MSIKLLGHHLIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O6S/c1-29-16-5-3-13(20)11-14(16)19(26)23-22-18(25)12-2-4-15(21)17(10-12)31(27,28)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 471.89 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2528605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).