2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

C18H17F2N3O5S — CID 17464821

IUPAC2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(F)ccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17F2N3O5S/c19-13-4-5-16(20)15(11-13)18(25)22-21-17(24)12-2-1-3-14(10-12)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)
InChIKeyAHLOVFMFCICSIA-UHFFFAOYSA-N
MW425.41 g/mol
LogP1.06
Rot. Bonds4

About 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 17464821) has the molecular formula C18H17F2N3O5S and a molecular weight of 425.41 g/mol. Its IUPAC name is 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID17464821
Molecular FormulaC18H17F2N3O5S
Molecular Weight425.41 g/mol
Exact Mass425.09
IUPAC Name2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(F)ccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17F2N3O5S/c19-13-4-5-16(20)15(11-13)18(25)22-21-17(24)12-2-1-3-14(10-12)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)
InChIKeyAHLOVFMFCICSIA-UHFFFAOYSA-N
XLogP1.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2358276
4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 2439280
N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2445760
3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide
CID 4283114
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-2-fluorobenzohydrazide
CID 4877378
3-(Morpholine-4-sulfonyl)benzohydrazide
CID 877246
N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140002
N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472585
N-benzyl-2-fluoro-5-(4-morpholinylsulfonyl)benzamide
CID 2107276
N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2405718
N-[3-(dimethylamino)propyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2427623
N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2569803

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 17464821) is 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is O=C(NNC(=O)c1cc(F)ccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is AHLOVFMFCICSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O5S/c19-13-4-5-16(20)15(11-13)18(25)22-21-17(24)12-2-1-3-14(10-12)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25).
What are the key properties of 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 425.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 17464821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).