N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide

C18H17BrFN3O5S — CID 24640878

IUPACN'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrFN3O5S/c19-13-3-1-12(2-4-13)17(24)21-22-18(25)15-11-14(5-6-16(15)20)29(26,27)23-7-9-28-10-8-23/h1-6,11H,7-10H2,(H,21,24)(H,22,25)
InChIKeyWMDNJVPBELZMAV-UHFFFAOYSA-N
MW486.32 g/mol
LogP1.68
Rot. Bonds4

About N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 24640878) has the molecular formula C18H17BrFN3O5S and a molecular weight of 486.32 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID24640878
Molecular FormulaC18H17BrFN3O5S
Molecular Weight486.32 g/mol
Exact Mass485.01
IUPAC NameN'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrFN3O5S/c19-13-3-1-12(2-4-13)17(24)21-22-18(25)15-11-14(5-6-16(15)20)29(26,27)23-7-9-28-10-8-23/h1-6,11H,7-10H2,(H,21,24)(H,22,25)
InChIKeyWMDNJVPBELZMAV-UHFFFAOYSA-N
XLogP1.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.32
LogP ≤ 51.68
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'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 24640858
N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
CID 39878344
[2-(4-bromoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346749
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (CID 24640878) is N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is WMDNJVPBELZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O5S/c19-13-3-1-12(2-4-13)17(24)21-22-18(25)15-11-14(5-6-16(15)20)29(26,27)23-7-9-28-10-8-23/h1-6,11H,7-10H2,(H,21,24)(H,22,25).
What are the key properties of N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 486.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 24640878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).