N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide

C13H11BrClN3O3S — CID 4730098

IUPACN'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C13H11BrClN3O3S/c1-8-4-2-3-5-10(8)13(19)17-18-22(20,21)9-6-11(14)12(15)16-7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyPBERWNICFGVTIG-UHFFFAOYSA-N
MW404.67 g/mol
LogP2.43
Rot. Bonds4

About N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide

N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide (PubChem CID 4730098) has the molecular formula C13H11BrClN3O3S and a molecular weight of 404.67 g/mol. Its IUPAC name is N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
PubChem CID4730098
Molecular FormulaC13H11BrClN3O3S
Molecular Weight404.67 g/mol
Exact Mass402.94
IUPAC NameN'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C13H11BrClN3O3S/c1-8-4-2-3-5-10(8)13(19)17-18-22(20,21)9-6-11(14)12(15)16-7-9/h2-7,18H,1H3,(H,17,19)
InChIKeyPBERWNICFGVTIG-UHFFFAOYSA-N
XLogP2.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.67
LogP ≤ 52.43
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

5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729929
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504967
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 135298550
2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide
CID 11606192
[2-[(5-bromo-6-chloro-3-pyridinyl)sulfonyloxy]phenyl] 5-bromo-6-chloropyridine-3-sulfonate
CID 4730139
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide (CID 4730098) is N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNS(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide?
The InChIKey is PBERWNICFGVTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O3S/c1-8-4-2-3-5-10(8)13(19)17-18-22(20,21)9-6-11(14)12(15)16-7-9/h2-7,18H,1H3,(H,17,19).
What are the key properties of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide?
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide has a molecular weight of 404.67 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide is sourced from PubChem (CID 4730098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).