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

C18H17ClFN3O5S — CID 2578698

IUPACN'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClFN3O5S/c19-13-3-1-2-12(10-13)17(24)21-22-18(25)15-11-14(4-5-16(15)20)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)
InChIKeyCNZJIFMICCWVNM-UHFFFAOYSA-N
MW441.87 g/mol
LogP1.57
Rot. Bonds4

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

N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2578698) has the molecular formula C18H17ClFN3O5S and a molecular weight of 441.87 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2578698
Molecular FormulaC18H17ClFN3O5S
Molecular Weight441.87 g/mol
Exact Mass441.06
IUPAC NameN'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClFN3O5S/c19-13-3-1-2-12(10-13)17(24)21-22-18(25)15-11-14(4-5-16(15)20)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)
InChIKeyCNZJIFMICCWVNM-UHFFFAOYSA-N
XLogP1.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 51.57
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

2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 24640858
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
5-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 24513762
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (CID 2578698) is N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is CNZJIFMICCWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O5S/c19-13-3-1-2-12(10-13)17(24)21-22-18(25)15-11-14(4-5-16(15)20)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 N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 441.87 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2578698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).