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

C12H9BrClN3O3S — CID 4729929

IUPAC2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1Br
InChIInChI=1S/C12H9BrClN3O3S/c13-10-4-2-1-3-9(10)12(18)16-17-21(19,20)8-5-6-11(14)15-7-8/h1-7,17H,(H,16,18)
InChIKeyNKPIHKJWHOANNM-UHFFFAOYSA-N
MW390.65 g/mol
LogP2.12
Rot. Bonds4

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

2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide (PubChem CID 4729929) has the molecular formula C12H9BrClN3O3S and a molecular weight of 390.65 g/mol. Its IUPAC name is 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
PubChem CID4729929
Molecular FormulaC12H9BrClN3O3S
Molecular Weight390.65 g/mol
Exact Mass388.92
IUPAC Name2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1Br
InChIInChI=1S/C12H9BrClN3O3S/c13-10-4-2-1-3-9(10)12(18)16-17-21(19,20)8-5-6-11(14)15-7-8/h1-7,17H,(H,16,18)
InChIKeyNKPIHKJWHOANNM-UHFFFAOYSA-N
XLogP2.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.65
LogP ≤ 52.12
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]-2-fluorobenzohydrazide
CID 4729927
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729935
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
CID 4730098
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
CID 4729924
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-diphenylacetohydrazide
CID 4729945
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
6-chloro-N'-phenylpyridine-3-sulfonohydrazide
CID 4729877
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
2-bromo-N-[(6-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 54788233
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide (CID 4729929) is 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
The InChIKey is NKPIHKJWHOANNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O3S/c13-10-4-2-1-3-9(10)12(18)16-17-21(19,20)8-5-6-11(14)15-7-8/h1-7,17H,(H,16,18).
What are the key properties of 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide has a molecular weight of 390.65 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide is sourced from PubChem (CID 4729929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).