2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide

C9H11ClN2O3S — CID 11300009

IUPAC2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyWXPYVGAGVWFJPF-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.24
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide

2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide (PubChem CID 11300009) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide
PubChem CID11300009
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyWXPYVGAGVWFJPF-UHFFFAOYSA-N
XLogP0.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.24
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-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
Acetamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049612
2-[(2,4-Dichlorobenzyl)thio]acetohydrazide
CID 1483486
2-[(4-Chlorobenzyl)thio]acetohydrazide
CID 679484
2-Benzylsulfonylacetohydrazide
CID 11817035
2-[(4-Chlorophenyl)methylsulfonyl]acetamide
CID 17225053
3-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
CID 9922456
2-[1-(4-Chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide
CID 143750302
2-[(2,6-Dichlorobenzyl)thio]acetohydrazide
CID 2803359
2-[(4-Methylphenyl)methylsulfonyl]acetohydrazide
CID 11299491
4-Chlorobenzoylethenesulfonylacetic acid hydrazide
CID 138376964
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(2-fluorophenyl)sulfanylacetohydrazide
CID 8481882

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide (CID 11300009) is 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide is NNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide?
The InChIKey is WXPYVGAGVWFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide?
2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide has a molecular weight of 262.72 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]acetohydrazide is sourced from PubChem (CID 11300009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).