2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride

C9H11ClN2O3S — CID 71573592

IUPAC2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride
SMILESCc1ccc(S(=O)(=O)NNCC(=O)Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-6-9(10)13/h2-5,11-12H,6H2,1H3
InChIKeyJDELXWMPSUNWSE-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.54
Rot. Bonds5

About 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride

2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride (PubChem CID 71573592) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride
PubChem CID71573592
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride
SMILESCc1ccc(S(=O)(=O)NNCC(=O)Cl)cc1
InChIInChI=1S/C9H11ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-6-9(10)13/h2-5,11-12H,6H2,1H3
InChIKeyJDELXWMPSUNWSE-UHFFFAOYSA-N
XLogP0.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 25208609
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
2-[(4-methylphenyl)sulfonylamino]pentanedioyl dichloride
CID 71384812
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
(4-methylphenyl)sulfonylurea;urea
CID 160676948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride?
The IUPAC name of 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride (CID 71573592) is 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride is Cc1ccc(S(=O)(=O)NNCC(=O)Cl)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride?
The InChIKey is JDELXWMPSUNWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-6-9(10)13/h2-5,11-12H,6H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride?
2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride has a molecular weight of 262.72 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride is sourced from PubChem (CID 71573592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).