N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide

C12H8BrClFN3O3S — CID 75396737

IUPACN'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccccn1
InChIInChI=1S/C12H8BrClFN3O3S/c13-8-5-7(15)6-9(14)11(8)22(20,21)18-17-12(19)10-3-1-2-4-16-10/h1-6,18H,(H,17,19)
InChIKeyGCEVDGYSTVJEJI-UHFFFAOYSA-N
MW408.64 g/mol
LogP2.26
Rot. Bonds4

About N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide

N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide (PubChem CID 75396737) has the molecular formula C12H8BrClFN3O3S and a molecular weight of 408.64 g/mol. Its IUPAC name is N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide
PubChem CID75396737
Molecular FormulaC12H8BrClFN3O3S
Molecular Weight408.64 g/mol
Exact Mass406.91
IUPAC NameN'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccccn1
InChIInChI=1S/C12H8BrClFN3O3S/c13-8-5-7(15)6-9(14)11(8)22(20,21)18-17-12(19)10-3-1-2-4-16-10/h1-6,18H,(H,17,19)
InChIKeyGCEVDGYSTVJEJI-UHFFFAOYSA-N
XLogP2.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.64
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 8511867
N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N'-(4,5-dibromothiophene-2-carbonyl)pyridine-2-carbohydrazide
CID 9330718
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
N'-(3-chloro-2-pyridinyl)pyridine-2-carbohydrazide
CID 171665716
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide?
The IUPAC name of N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide (CID 75396737) is N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide is O=C(NNS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccccn1.
What is the InChIKey of N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide?
The InChIKey is GCEVDGYSTVJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3O3S/c13-8-5-7(15)6-9(14)11(8)22(20,21)18-17-12(19)10-3-1-2-4-16-10/h1-6,18H,(H,17,19).
What are the key properties of N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide?
N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide has a molecular weight of 408.64 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide is sourced from PubChem (CID 75396737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).