N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

C11H13N5O4S — CID 102693886

IUPACN'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N5O4S/c1-20-9-6-7(11(12)15-17)2-3-8(9)16-21(18,19)10-4-5-13-14-10/h2-6,16-17H,1H3,(H2,12,15)(H,13,14)
InChIKeyAQKWDEQFXGJKMA-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.31
Rot. Bonds5

About N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide

N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (PubChem CID 102693886) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
PubChem CID102693886
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC NameN'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N5O4S/c1-20-9-6-7(11(12)15-17)2-3-8(9)16-21(18,19)10-4-5-13-14-10/h2-6,16-17H,1H3,(H2,12,15)(H,13,14)
InChIKeyAQKWDEQFXGJKMA-UHFFFAOYSA-N
XLogP0.31
TPSA142.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107790817
4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 104849976
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 107810033
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylpropanamide
CID 113460435
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methoxyacetamide
CID 104849887
3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide
CID 167746957
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide (CID 102693886) is N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is COc1cc(/C(N)=N/O)ccc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is AQKWDEQFXGJKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-20-9-6-7(11(12)15-17)2-3-8(9)16-21(18,19)10-4-5-13-14-10/h2-6,16-17H,1H3,(H2,12,15)(H,13,14).
What are the key properties of N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide?
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 311.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 102693886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).