N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide

C12H9ClFN3O3S — CID 4729924

IUPACN'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFN3O3S/c13-11-6-5-10(7-15-11)21(19,20)17-16-12(18)8-1-3-9(14)4-2-8/h1-7,17H,(H,16,18)
InChIKeyUWTJYNXXCOIGJN-UHFFFAOYSA-N
MW329.74 g/mol
LogP1.50
Rot. Bonds4

About N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide

N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide (PubChem CID 4729924) has the molecular formula C12H9ClFN3O3S and a molecular weight of 329.74 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
PubChem CID4729924
Molecular FormulaC12H9ClFN3O3S
Molecular Weight329.74 g/mol
Exact Mass329.00
IUPAC NameN'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFN3O3S/c13-11-6-5-10(7-15-11)21(19,20)17-16-12(18)8-1-3-9(14)4-2-8/h1-7,17H,(H,16,18)
InChIKeyUWTJYNXXCOIGJN-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

N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-(diethylamino)benzohydrazide
CID 2683676
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729935
2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729929
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-diphenylacetohydrazide
CID 4729945
6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
CID 110307295
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide (CID 4729924) is N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)cc1.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide?
The InChIKey is UWTJYNXXCOIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3S/c13-11-6-5-10(7-15-11)21(19,20)17-16-12(18)8-1-3-9(14)4-2-8/h1-7,17H,(H,16,18).
What are the key properties of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide?
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-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]-4-fluorobenzohydrazide is sourced from PubChem (CID 4729924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).