N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide

C10H15N3O5S — CID 126128860

IUPACN-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NN)cc1OC
InChIInChI=1S/C10H15N3O5S/c1-17-8-4-3-7(5-9(8)18-2)19(15,16)12-6-10(14)13-11/h3-5,12H,6,11H2,1-2H3,(H,13,14)
InChIKeyZLBYYYNERQCSEQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.03
Rot. Bonds6

About N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 126128860) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID126128860
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NN)cc1OC
InChIInChI=1S/C10H15N3O5S/c1-17-8-4-3-7(5-9(8)18-2)19(15,16)12-6-10(14)13-11/h3-5,12H,6,11H2,1-2H3,(H,13,14)
InChIKeyZLBYYYNERQCSEQ-UHFFFAOYSA-N
XLogP-1.03
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992289
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664557
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
(4-methylphenyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 110670619
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664626
N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
CID 114384146
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide (CID 126128860) is N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)NN)cc1OC.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ZLBYYYNERQCSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-17-8-4-3-7(5-9(8)18-2)19(15,16)12-6-10(14)13-11/h3-5,12H,6,11H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 289.31 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 126128860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).