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

C12H9ClN4O5S — CID 4729926

IUPACN'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9ClN4O5S/c13-11-6-5-10(7-14-11)23(21,22)16-15-12(18)8-1-3-9(4-2-8)17(19)20/h1-7,16H,(H,15,18)
InChIKeyZRCNPBQEZUAJRD-UHFFFAOYSA-N
MW356.75 g/mol
LogP1.27
Rot. Bonds5

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

N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide (PubChem CID 4729926) has the molecular formula C12H9ClN4O5S and a molecular weight of 356.75 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
PubChem CID4729926
Molecular FormulaC12H9ClN4O5S
Molecular Weight356.75 g/mol
Exact Mass356.00
IUPAC NameN'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9ClN4O5S/c13-11-6-5-10(7-14-11)23(21,22)16-15-12(18)8-1-3-9(4-2-8)17(19)20/h1-7,16H,(H,15,18)
InChIKeyZRCNPBQEZUAJRD-UHFFFAOYSA-N
XLogP1.27
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 51.27
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-fluorobenzohydrazide
CID 4729924
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-(diethylamino)benzohydrazide
CID 2683676
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729929
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 3588746

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide (CID 4729926) is N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
The InChIKey is ZRCNPBQEZUAJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O5S/c13-11-6-5-10(7-14-11)23(21,22)16-15-12(18)8-1-3-9(4-2-8)17(19)20/h1-7,16H,(H,15,18).
What are the key properties of N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide?
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide has a molecular weight of 356.75 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 4729926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).