5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide

C9H13N3O4S — CID 45373547

IUPAC5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)NN)ccc1OC
InChIInChI=1S/C9H13N3O4S/c1-11-17(14,15)8-5-6(9(13)12-10)3-4-7(8)16-2/h3-5,11H,10H2,1-2H3,(H,12,13)
InChIKeyCKICUFGPYYDJLZ-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.79
Rot. Bonds4

About 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide

5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 45373547) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID45373547
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)NN)ccc1OC
InChIInChI=1S/C9H13N3O4S/c1-11-17(14,15)8-5-6(9(13)12-10)3-4-7(8)16-2/h3-5,11H,10H2,1-2H3,(H,12,13)
InChIKeyCKICUFGPYYDJLZ-UHFFFAOYSA-N
XLogP-0.79
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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

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CID 18105723
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
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4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
4-methoxy-3-(methylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 28557684
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
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3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021

Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide (CID 45373547) is 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)NN)ccc1OC.
What is the InChIKey of 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is CKICUFGPYYDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-11-17(14,15)8-5-6(9(13)12-10)3-4-7(8)16-2/h3-5,11H,10H2,1-2H3,(H,12,13).
What are the key properties of 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide?
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 259.29 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 45373547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).