4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide

C11H17N3O4S — CID 45373085

IUPAC4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1
InChIInChI=1S/C11H17N3O4S/c1-3-18-9-4-6-10(7-5-9)19(16,17)14(2)8-11(15)13-12/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeySVJFCUFDWVQUQR-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.30
Rot. Bonds6

About 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide

4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide (PubChem CID 45373085) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
PubChem CID45373085
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1
InChIInChI=1S/C11H17N3O4S/c1-3-18-9-4-6-10(7-5-9)19(16,17)14(2)8-11(15)13-12/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeySVJFCUFDWVQUQR-UHFFFAOYSA-N
XLogP-0.30
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92518774
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
N-(4-ethoxyphenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylsulfanylbenzenesulfonamide
CID 53278646
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 3163372
N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373137
N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373120
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide (CID 45373085) is 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1.
What is the InChIKey of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
The InChIKey is SVJFCUFDWVQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-18-9-4-6-10(7-5-9)19(16,17)14(2)8-11(15)13-12/h4-7H,3,8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 45373085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).