N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide

C13H13N3O3S — CID 89392412

IUPACN'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-13(15-17)10-6-8-12(9-7-10)20(18,19)16-11-4-2-1-3-5-11/h1-9,16-17H,(H2,14,15)
InChIKeyVMDJJBVCOBHQSZ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.58
Rot. Bonds4

About N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide

N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide (PubChem CID 89392412) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
PubChem CID89392412
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-13(15-17)10-6-8-12(9-7-10)20(18,19)16-11-4-2-1-3-5-11/h1-9,16-17H,(H2,14,15)
InChIKeyVMDJJBVCOBHQSZ-UHFFFAOYSA-N
XLogP1.58
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.58
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'}

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Related Compounds

[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
CID 53243731
N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide
CID 89392454
4-(phenylsulfamoyl)benzoate
CID 6997297
N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
CID 87540671
N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 10293631
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
N'-hydroxybenzenecarboximidamide
CID 142861747
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
CID 24834739
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide (CID 89392412) is N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide is N/C(=N\O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide?
The InChIKey is VMDJJBVCOBHQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-13(15-17)10-6-8-12(9-7-10)20(18,19)16-11-4-2-1-3-5-11/h1-9,16-17H,(H2,14,15).
What are the key properties of N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide?
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide has a molecular weight of 291.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide is sourced from PubChem (CID 89392412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).