N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide

C13H14N4O3S — CID 76979395

IUPACN'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide
SMILESCN(c1ccc(C(N)=NO)cc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H14N4O3S/c1-17(21(19,20)12-3-2-8-15-9-12)11-6-4-10(5-7-11)13(14)16-18/h2-9,18H,1H3,(H2,14,16)
InChIKeyQKDJHIVDUMWOFF-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.00
Rot. Bonds4

About N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide

N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide (PubChem CID 76979395) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide
PubChem CID76979395
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide
SMILESCN(c1ccc(C(N)=NO)cc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H14N4O3S/c1-17(21(19,20)12-3-2-8-15-9-12)11-6-4-10(5-7-11)13(14)16-18/h2-9,18H,1H3,(H2,14,16)
InChIKeyQKDJHIVDUMWOFF-UHFFFAOYSA-N
XLogP1.00
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarbothioamide
CID 62969653
N-(6-amino-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 115274544
N-methyl-N-[4-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10066599
N-(4-ethoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 56794329
N'-hydroxy-4-[methyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]benzenecarboximidamide
CID 77021181
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide
CID 54996530
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979355
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979353
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide (CID 76979395) is N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide is CN(c1ccc(C(N)=NO)cc1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide?
The InChIKey is QKDJHIVDUMWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-17(21(19,20)12-3-2-8-15-9-12)11-6-4-10(5-7-11)13(14)16-18/h2-9,18H,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide has a molecular weight of 306.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76979395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).