N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide

C15H15N3O5S — CID 110454037

IUPACN'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15N3O5S/c1-10-3-4-13(9-15(10)18(20)21)12-5-7-14(8-6-12)24(22,23)17-16-11(2)19/h3-9,17H,1-2H3,(H,16,19)
InChIKeyZCHJRRBAAITCPS-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.90
Rot. Bonds5

About N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide

N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide (PubChem CID 110454037) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
PubChem CID110454037
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15N3O5S/c1-10-3-4-13(9-15(10)18(20)21)12-5-7-14(8-6-12)24(22,23)17-16-11(2)19/h3-9,17H,1-2H3,(H,16,19)
InChIKeyZCHJRRBAAITCPS-UHFFFAOYSA-N
XLogP1.90
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920
2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9208051
4-methyl-N-(2-methylprop-2-enyl)-3-nitrobenzenesulfonamide
CID 114616455
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164873
4-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2836744
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9208056
N-(3,3-dimethyl-2-oxobutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64994000

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide?
The IUPAC name of N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide (CID 110454037) is N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide?
The canonical SMILES for N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide?
The InChIKey is ZCHJRRBAAITCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10-3-4-13(9-15(10)18(20)21)12-5-7-14(8-6-12)24(22,23)17-16-11(2)19/h3-9,17H,1-2H3,(H,16,19).
What are the key properties of N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide?
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide has a molecular weight of 349.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 110454037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).