4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

C16H15N3O7S — CID 26887625

IUPAC4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O7S/c1-27(24,25)12-8-6-11(7-9-12)16(21)18-17-15(20)10-26-14-5-3-2-4-13(14)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyVTXDQFNENBAJEZ-UHFFFAOYSA-N
MW393.38 g/mol
LogP0.84
Rot. Bonds6

About 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 26887625) has the molecular formula C16H15N3O7S and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
PubChem CID26887625
Molecular FormulaC16H15N3O7S
Molecular Weight393.38 g/mol
Exact Mass393.06
IUPAC Name4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O7S/c1-27(24,25)12-8-6-11(7-9-12)16(21)18-17-15(20)10-26-14-5-3-2-4-13(14)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyVTXDQFNENBAJEZ-UHFFFAOYSA-N
XLogP0.84
TPSA144.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4931286
3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26873925
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (CID 26887625) is 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is VTXDQFNENBAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O7S/c1-27(24,25)12-8-6-11(7-9-12)16(21)18-17-15(20)10-26-14-5-3-2-4-13(14)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 393.38 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26887625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).