2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide

C15H14ClN3O6S — CID 9164873

IUPAC2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O6S/c1-10-5-6-13(8-14(10)19(21)22)26(23,24)18-17-15(20)9-25-12-4-2-3-11(16)7-12/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyRYBORVHFTSHENN-UHFFFAOYSA-N
MW399.81 g/mol
LogP1.95
Rot. Bonds7

About 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide

2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide (PubChem CID 9164873) has the molecular formula C15H14ClN3O6S and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
PubChem CID9164873
Molecular FormulaC15H14ClN3O6S
Molecular Weight399.81 g/mol
Exact Mass399.03
IUPAC Name2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O6S/c1-10-5-6-13(8-14(10)19(21)22)26(23,24)18-17-15(20)9-25-12-4-2-3-11(16)7-12/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyRYBORVHFTSHENN-UHFFFAOYSA-N
XLogP1.95
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164866
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164878
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7804021
N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5110734
2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
N'-(2,5-dichlorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505751
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9208051
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035913
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide (CID 9164873) is 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is RYBORVHFTSHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6S/c1-10-5-6-13(8-14(10)19(21)22)26(23,24)18-17-15(20)9-25-12-4-2-3-11(16)7-12/h2-8,18H,9H2,1H3,(H,17,20).
What are the key properties of 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 399.81 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 9164873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).