N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide

C11H13N5O3S — CID 76939128

IUPACN'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H13N5O3S/c12-11(16-17)9-3-1-8(2-4-9)5-15-20(18,19)10-6-13-14-7-10/h1-4,6-7,15,17H,5H2,(H2,12,16)(H,13,14)
InChIKeyVGKBREMHLJVPSN-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.02
Rot. Bonds5

About N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide

N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide (PubChem CID 76939128) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide
PubChem CID76939128
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H13N5O3S/c12-11(16-17)9-3-1-8(2-4-9)5-15-20(18,19)10-6-13-14-7-10/h1-4,6-7,15,17H,5H2,(H2,12,16)(H,13,14)
InChIKeyVGKBREMHLJVPSN-UHFFFAOYSA-N
XLogP-0.02
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
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

N'-hydroxy-4-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]benzenecarboximidamide
CID 76939126
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106385116
4-[2-(1H-pyrazol-4-ylsulfonylamino)ethyl]benzoic acid
CID 60917023
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 78981160
N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
CID 107469796
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
N-[[3-(chloromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 65032352
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide (CID 76939128) is N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide is NC(=NO)c1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide?
The InChIKey is VGKBREMHLJVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c12-11(16-17)9-3-1-8(2-4-9)5-15-20(18,19)10-6-13-14-7-10/h1-4,6-7,15,17H,5H2,(H2,12,16)(H,13,14).
What are the key properties of N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide?
N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide has a molecular weight of 295.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 76939128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).