N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide

C12H15N5O3S — CID 102693860

IUPACN'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide
SMILESCN(Cc1cccc(/C(N)=N/O)c1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H15N5O3S/c1-17(21(19,20)11-5-6-14-15-11)8-9-3-2-4-10(7-9)12(13)16-18/h2-7,18H,8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyKYQHENAZFOXNDL-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.32
Rot. Bonds5

About N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide (PubChem CID 102693860) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide
PubChem CID102693860
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide
SMILESCN(Cc1cccc(/C(N)=N/O)c1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H15N5O3S/c1-17(21(19,20)11-5-6-14-15-11)8-9-3-2-4-10(7-9)12(13)16-18/h2-7,18H,8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyKYQHENAZFOXNDL-UHFFFAOYSA-N
XLogP0.32
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]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-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77052477
N'-hydroxy-3-[[methyl(3-methylbutylsulfonyl)amino]methyl]benzenecarboximidamide
CID 77008650
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
N'-hydroxy-3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzenecarboximidamide
CID 77059764
tert-butyl N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methylcarbamate
CID 76979061
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691846
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102693886
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide (CID 102693860) is N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide is CN(Cc1cccc(/C(N)=N/O)c1)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide?
The InChIKey is KYQHENAZFOXNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-17(21(19,20)11-5-6-14-15-11)8-9-3-2-4-10(7-9)12(13)16-18/h2-7,18H,8H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide has a molecular weight of 309.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102693860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).