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

C19H19ClFN3O5S — CID 138615752

IUPACN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H19ClFN3O5S/c1-28-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)30(27)24-6-8-29-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyHNOGYJJTRFSAAN-UHFFFAOYSA-N
MW455.90 g/mol
LogP1.92
Rot. Bonds5

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

N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide (PubChem CID 138615752) has the molecular formula C19H19ClFN3O5S and a molecular weight of 455.90 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide
PubChem CID138615752
Molecular FormulaC19H19ClFN3O5S
Molecular Weight455.90 g/mol
Exact Mass455.07
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H19ClFN3O5S/c1-28-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)30(27)24-6-8-29-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyHNOGYJJTRFSAAN-UHFFFAOYSA-N
XLogP1.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4795157
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
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
5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide
CID 30125613
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-(morpholine-4-sulfonyl)benzohydrazide
CID 2533167
4-Methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 4850744
4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 26854853
4-(Benzenesulfonyl)-8-(5-chloro-2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 22584244

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide (CID 138615752) is N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide?
The InChIKey is HNOGYJJTRFSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O5S/c1-28-17-5-2-12(20)10-15(17)19(26)23-22-18(25)14-11-13(3-4-16(14)21)30(27)24-6-8-29-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide has a molecular weight of 455.90 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfinylbenzohydrazide is sourced from PubChem (CID 138615752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).