N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide

C17H20N2O4S — CID 8617249

IUPACN'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-15-8-6-14(7-9-15)17(20)18-19-24(21,22)16-10-5-12(2)13(3)11-16/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyGGCPNGPNSQESIV-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.33
Rot. Bonds6

About N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide

N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide (PubChem CID 8617249) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
PubChem CID8617249
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-15-8-6-14(7-9-15)17(20)18-19-24(21,22)16-10-5-12(2)13(3)11-16/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyGGCPNGPNSQESIV-UHFFFAOYSA-N
XLogP2.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-ethoxybenzohydrazide
CID 8617321
2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9243979
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
2-methyl-4-[[[4-(phenoxymethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 154859239
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide (CID 8617249) is N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide?
The InChIKey is GGCPNGPNSQESIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-23-15-8-6-14(7-9-15)17(20)18-19-24(21,22)16-10-5-12(2)13(3)11-16/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide?
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide has a molecular weight of 348.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide is sourced from PubChem (CID 8617249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).