2-amino-N'-methylsulfonylbenzohydrazide

C8H11N3O3S — CID 54331662

IUPAC2-amino-N'-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)NNC(=O)c1ccccc1N
InChIInChI=1S/C8H11N3O3S/c1-15(13,14)11-10-8(12)6-4-2-3-5-7(6)9/h2-5,11H,9H2,1H3,(H,10,12)
InChIKeySYTSGOWKRWEUEC-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.54
Rot. Bonds3

About 2-amino-N'-methylsulfonylbenzohydrazide

2-amino-N'-methylsulfonylbenzohydrazide (PubChem CID 54331662) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-amino-N'-methylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-amino-N'-methylsulfonylbenzohydrazide
PubChem CID54331662
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-amino-N'-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)NNC(=O)c1ccccc1N
InChIInChI=1S/C8H11N3O3S/c1-15(13,14)11-10-8(12)6-4-2-3-5-7(6)9/h2-5,11H,9H2,1H3,(H,10,12)
InChIKeySYTSGOWKRWEUEC-UHFFFAOYSA-N
XLogP-0.54
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
CID 139171185
2-amino-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide;sulfane
CID 158216878
2-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788214
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;azane
CID 21425790
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
CID 101455065
2-amino-N'-(2-cyanoacetyl)benzohydrazide
CID 130018027

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-methylsulfonylbenzohydrazide?
The IUPAC name of 2-amino-N'-methylsulfonylbenzohydrazide (CID 54331662) is 2-amino-N'-methylsulfonylbenzohydrazide.
What is the SMILES notation for 2-amino-N'-methylsulfonylbenzohydrazide?
The canonical SMILES for 2-amino-N'-methylsulfonylbenzohydrazide is CS(=O)(=O)NNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N'-methylsulfonylbenzohydrazide?
The InChIKey is SYTSGOWKRWEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-15(13,14)11-10-8(12)6-4-2-3-5-7(6)9/h2-5,11H,9H2,1H3,(H,10,12).
What are the key properties of 2-amino-N'-methylsulfonylbenzohydrazide?
2-amino-N'-methylsulfonylbenzohydrazide has a molecular weight of 229.26 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-methylsulfonylbenzohydrazide is sourced from PubChem (CID 54331662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).