N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide

C12H9ClFN3O3S — CID 4729927

IUPACN'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1F
InChIInChI=1S/C12H9ClFN3O3S/c13-11-6-5-8(7-15-11)21(19,20)17-16-12(18)9-3-1-2-4-10(9)14/h1-7,17H,(H,16,18)
InChIKeyZSOAWQBBDZEAGX-UHFFFAOYSA-N
MW329.74 g/mol
LogP1.50
Rot. Bonds4

About N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide

N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide (PubChem CID 4729927) has the molecular formula C12H9ClFN3O3S and a molecular weight of 329.74 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
PubChem CID4729927
Molecular FormulaC12H9ClFN3O3S
Molecular Weight329.74 g/mol
Exact Mass329.00
IUPAC NameN'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1F
InChIInChI=1S/C12H9ClFN3O3S/c13-11-6-5-8(7-15-11)21(19,20)17-16-12(18)9-3-1-2-4-10(9)14/h1-7,17H,(H,16,18)
InChIKeyZSOAWQBBDZEAGX-UHFFFAOYSA-N
XLogP1.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729929
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729935
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
CID 4729924
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-diphenylacetohydrazide
CID 4729945
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
CID 29099080
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
6-chloro-N'-phenylpyridine-3-sulfonohydrazide
CID 4729877
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide (CID 4729927) is N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1F.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide?
The InChIKey is ZSOAWQBBDZEAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3S/c13-11-6-5-8(7-15-11)21(19,20)17-16-12(18)9-3-1-2-4-10(9)14/h1-7,17H,(H,16,18).
What are the key properties of N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide?
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide has a molecular weight of 329.74 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 4729927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).