N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide

C12H8BrClN4O5S — CID 4730103

IUPACN'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8BrClN4O5S/c13-10-5-9(6-15-11(10)14)24(22,23)17-16-12(19)7-1-3-8(4-2-7)18(20)21/h1-6,17H,(H,16,19)
InChIKeyFVZOVGVFKHGLJH-UHFFFAOYSA-N
MW435.64 g/mol
LogP2.03
Rot. Bonds5

About N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide

N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide (PubChem CID 4730103) has the molecular formula C12H8BrClN4O5S and a molecular weight of 435.64 g/mol. Its IUPAC name is N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
PubChem CID4730103
Molecular FormulaC12H8BrClN4O5S
Molecular Weight435.64 g/mol
Exact Mass433.91
IUPAC NameN'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8BrClN4O5S/c13-10-5-9(6-15-11(10)14)24(22,23)17-16-12(19)7-1-3-8(4-2-7)18(20)21/h1-6,17H,(H,16,19)
InChIKeyFVZOVGVFKHGLJH-UHFFFAOYSA-N
XLogP2.03
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.64
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
CID 4729924
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729929
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide (CID 4730103) is N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide is O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
The InChIKey is FVZOVGVFKHGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O5S/c13-10-5-9(6-15-11(10)14)24(22,23)17-16-12(19)7-1-3-8(4-2-7)18(20)21/h1-6,17H,(H,16,19).
What are the key properties of N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide has a molecular weight of 435.64 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 4730103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).