N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide

C15H13Cl3N2O4S — CID 165343411

IUPACN'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl3N2O4S/c1-9-2-4-10(5-3-9)25(22,23)20-19-15(21)8-24-14-7-12(17)11(16)6-13(14)18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyNLIANRYNXNXWFI-UHFFFAOYSA-N
MW423.71 g/mol
LogP3.34
Rot. Bonds6

About N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide

N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide (PubChem CID 165343411) has the molecular formula C15H13Cl3N2O4S and a molecular weight of 423.71 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide
PubChem CID165343411
Molecular FormulaC15H13Cl3N2O4S
Molecular Weight423.71 g/mol
Exact Mass421.97
IUPAC NameN'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl3N2O4S/c1-9-2-4-10(5-3-9)25(22,23)20-19-15(21)8-24-14-7-12(17)11(16)6-13(14)18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyNLIANRYNXNXWFI-UHFFFAOYSA-N
XLogP3.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.71
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244388
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 25208609
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496
N-[4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 1212112
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide (CID 165343411) is N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide?
The InChIKey is NLIANRYNXNXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O4S/c1-9-2-4-10(5-3-9)25(22,23)20-19-15(21)8-24-14-7-12(17)11(16)6-13(14)18/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide?
N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide has a molecular weight of 423.71 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide is sourced from PubChem (CID 165343411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).