2-(2,4-dichlorophenyl)sulfonylacetohydrazide

C8H8Cl2N2O3S — CID 155859240

IUPAC2-(2,4-dichlorophenyl)sulfonylacetohydrazide
SMILESNNC(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2O3S/c9-5-1-2-7(6(10)3-5)16(14,15)4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
InChIKeyNUYWTGMHLMBMFH-UHFFFAOYSA-N
MW283.14 g/mol
LogP0.76
Rot. Bonds3

About 2-(2,4-dichlorophenyl)sulfonylacetohydrazide

2-(2,4-dichlorophenyl)sulfonylacetohydrazide (PubChem CID 155859240) has the molecular formula C8H8Cl2N2O3S and a molecular weight of 283.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfonylacetohydrazide
PubChem CID155859240
Molecular FormulaC8H8Cl2N2O3S
Molecular Weight283.14 g/mol
Exact Mass281.96
IUPAC Name2-(2,4-dichlorophenyl)sulfonylacetohydrazide
SMILESNNC(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2O3S/c9-5-1-2-7(6(10)3-5)16(14,15)4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
InChIKeyNUYWTGMHLMBMFH-UHFFFAOYSA-N
XLogP0.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)sulfonyl-N'-hydroxyethanimidamide
CID 75176683
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 81180693
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
1-(5-bromopentylsulfonyl)-2,4-dichlorobenzene
CID 10689844
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
2-(5-chloro-2-fluorophenyl)sulfonylacetic acid
CID 82481568

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfonylacetohydrazide (CID 155859240) is 2-(2,4-dichlorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfonylacetohydrazide is NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfonylacetohydrazide?
The InChIKey is NUYWTGMHLMBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3S/c9-5-1-2-7(6(10)3-5)16(14,15)4-8(13)12-11/h1-3H,4,11H2,(H,12,13).
What are the key properties of 2-(2,4-dichlorophenyl)sulfonylacetohydrazide?
2-(2,4-dichlorophenyl)sulfonylacetohydrazide has a molecular weight of 283.14 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 155859240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).