2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide

C18H17FN4O7S — CID 24640858

IUPAC2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17FN4O7S/c19-16-5-4-14(31(28,29)22-6-8-30-9-7-22)11-15(16)18(25)21-20-17(24)12-2-1-3-13(10-12)23(26)27/h1-5,10-11H,6-9H2,(H,20,24)(H,21,25)
InChIKeyYCCGEWFUPJAEJM-UHFFFAOYSA-N
MW452.42 g/mol
LogP0.83
Rot. Bonds5

About 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide

2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 24640858) has the molecular formula C18H17FN4O7S and a molecular weight of 452.42 g/mol. Its IUPAC name is 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID24640858
Molecular FormulaC18H17FN4O7S
Molecular Weight452.42 g/mol
Exact Mass452.08
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17FN4O7S/c19-16-5-4-14(31(28,29)22-6-8-30-9-7-22)11-15(16)18(25)21-20-17(24)12-2-1-3-13(10-12)23(26)27/h1-5,10-11H,6-9H2,(H,20,24)(H,21,25)
InChIKeyYCCGEWFUPJAEJM-UHFFFAOYSA-N
XLogP0.83
TPSA147.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone
CID 4828680
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-nitrobenzoate
CID 4687464

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide (CID 24640858) is 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is YCCGEWFUPJAEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O7S/c19-16-5-4-14(31(28,29)22-6-8-30-9-7-22)11-15(16)18(25)21-20-17(24)12-2-1-3-13(10-12)23(26)27/h1-5,10-11H,6-9H2,(H,20,24)(H,21,25).
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide?
2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 452.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 24640858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).