5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide

C12H11BrClN3O4S2 — CID 4730121

IUPAC5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C12H11BrClN3O4S2/c1-8-2-4-9(5-3-8)22(18,19)16-17-23(20,21)10-6-11(13)12(14)15-7-10/h2-7,16-17H,1H3
InChIKeyZVSFGPSODNECKD-UHFFFAOYSA-N
MW440.73 g/mol
LogP1.98
Rot. Bonds5

About 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide

5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide (PubChem CID 4730121) has the molecular formula C12H11BrClN3O4S2 and a molecular weight of 440.73 g/mol. Its IUPAC name is 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide.

Molecular Properties

Compound Name5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
PubChem CID4730121
Molecular FormulaC12H11BrClN3O4S2
Molecular Weight440.73 g/mol
Exact Mass438.91
IUPAC Name5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C12H11BrClN3O4S2/c1-8-2-4-9(5-3-8)22(18,19)16-17-23(20,21)10-6-11(13)12(14)15-7-10/h2-7,16-17H,1H3
InChIKeyZVSFGPSODNECKD-UHFFFAOYSA-N
XLogP1.98
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.73
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
CID 4730098
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
methyl 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 3863990
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
CID 3838244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide?
The IUPAC name of 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide (CID 4730121) is 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide.
What is the SMILES notation for 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide?
The canonical SMILES for 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1.
What is the InChIKey of 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide?
The InChIKey is ZVSFGPSODNECKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O4S2/c1-8-2-4-9(5-3-8)22(18,19)16-17-23(20,21)10-6-11(13)12(14)15-7-10/h2-7,16-17H,1H3.
What are the key properties of 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide?
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide has a molecular weight of 440.73 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide is sourced from PubChem (CID 4730121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).