N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide

C8H11N3O3S — CID 23592571

IUPACN'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
SMILESCS(=O)(=O)Nc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C8H11N3O3S/c1-15(13,14)11-7-4-2-3-6(5-7)8(9)10-12/h2-5,11-12H,1H3,(H2,9,10)
InChIKeyUETUZZBCAKVXSS-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.15
Rot. Bonds3

About N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide

N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide (PubChem CID 23592571) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
PubChem CID23592571
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC NameN'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
SMILESCS(=O)(=O)Nc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C8H11N3O3S/c1-15(13,14)11-7-4-2-3-6(5-7)8(9)10-12/h2-5,11-12H,1H3,(H2,9,10)
InChIKeyUETUZZBCAKVXSS-UHFFFAOYSA-N
XLogP0.15
TPSA104.78 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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77017191
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[3-[(2E)-2-hydroxyiminoacetyl]phenyl]methanesulfonamide
CID 87742571
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
N'-hydroxy-3-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 76942000
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77021138
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide
CID 54934612
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide (CID 23592571) is N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide is CS(=O)(=O)Nc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide?
The InChIKey is UETUZZBCAKVXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-15(13,14)11-7-4-2-3-6(5-7)8(9)10-12/h2-5,11-12H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide?
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide has a molecular weight of 229.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide is sourced from PubChem (CID 23592571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).