2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide

C17H19N3O5S — CID 9164866

IUPAC2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
SMILESCc1ccc(CC(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C17H19N3O5S/c1-11-4-6-14(8-13(11)3)9-17(21)18-19-26(24,25)15-7-5-12(2)16(10-15)20(22)23/h4-8,10,19H,9H2,1-3H3,(H,18,21)
InChIKeyDEEUJCNQVFUIDY-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.07
Rot. Bonds6

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

2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide (PubChem CID 9164866) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
PubChem CID9164866
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
SMILESCc1ccc(CC(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C17H19N3O5S/c1-11-4-6-14(8-13(11)3)9-17(21)18-19-26(24,25)15-7-5-12(2)16(10-15)20(22)23/h4-8,10,19H,9H2,1-3H3,(H,18,21)
InChIKeyDEEUJCNQVFUIDY-UHFFFAOYSA-N
XLogP2.07
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.07
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'}

Analyze 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9208051
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164873
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
CID 110454037
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
2-(3,4-dimethoxyphenyl)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 1009767
N-(3,3-dimethyl-2-oxobutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64994000
1-ethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 4039653
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methyl-3-nitrobenzenesulfonamide
CID 107848426
(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164918
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide (CID 9164866) is 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide is Cc1ccc(CC(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is DEEUJCNQVFUIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-4-6-14(8-13(11)3)9-17(21)18-19-26(24,25)15-7-5-12(2)16(10-15)20(22)23/h4-8,10,19H,9H2,1-3H3,(H,18,21).
What are the key properties of 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 377.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 9164866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).