2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide

C12H8Cl3N3O3S — CID 4729935

IUPAC2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N3O3S/c13-7-1-3-9(10(14)5-7)12(19)17-18-22(20,21)8-2-4-11(15)16-6-8/h1-6,18H,(H,17,19)
InChIKeyAFIWABGWEAQPPE-UHFFFAOYSA-N
MW380.64 g/mol
LogP2.67
Rot. Bonds4

About 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide

2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide (PubChem CID 4729935) has the molecular formula C12H8Cl3N3O3S and a molecular weight of 380.64 g/mol. Its IUPAC name is 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
PubChem CID4729935
Molecular FormulaC12H8Cl3N3O3S
Molecular Weight380.64 g/mol
Exact Mass378.94
IUPAC Name2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N3O3S/c13-7-1-3-9(10(14)5-7)12(19)17-18-22(20,21)8-2-4-11(15)16-6-8/h1-6,18H,(H,17,19)
InChIKeyAFIWABGWEAQPPE-UHFFFAOYSA-N
XLogP2.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.64
LogP ≤ 52.67
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

N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
2-bromo-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729929
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
CID 4729924
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
CID 26948560
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
CID 808082
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-(diethylamino)benzohydrazide
CID 2683676
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-diphenylacetohydrazide
CID 4729945
2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
CID 24956235
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide (CID 4729935) is 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
The InChIKey is AFIWABGWEAQPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O3S/c13-7-1-3-9(10(14)5-7)12(19)17-18-22(20,21)8-2-4-11(15)16-6-8/h1-6,18H,(H,17,19).
What are the key properties of 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide?
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide has a molecular weight of 380.64 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide is sourced from PubChem (CID 4729935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).