N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide

C8H12N4O3S — CID 114959565

IUPACN'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNS(N)(=O)=O)c1
InChIInChI=1S/C8H12N4O3S/c9-8(12-13)7-3-1-2-6(4-7)5-11-16(10,14)15/h1-4,11,13H,5H2,(H2,9,12)(H2,10,14,15)
InChIKeyUFAWUBUSLOOZKS-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.93
Rot. Bonds4

About N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide

N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide (PubChem CID 114959565) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
PubChem CID114959565
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC NameN'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CNS(N)(=O)=O)c1
InChIInChI=1S/C8H12N4O3S/c9-8(12-13)7-3-1-2-6(4-7)5-11-16(10,14)15/h1-4,11,13H,5H2,(H2,9,12)(H2,10,14,15)
InChIKeyUFAWUBUSLOOZKS-UHFFFAOYSA-N
XLogP-0.93
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
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

ethyl N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylsulfamoyl]carbamate
CID 114465943
3-bromo-N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]benzamide
CID 76932708
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
N'-hydroxy-3-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77032298
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-iodobenzamide
CID 76932753
2-[3-(N'-hydroxycarbamimidoyl)phenyl]acetic acid
CID 90990640
N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
CID 114617394
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 76932654
N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
CID 83144415

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide (CID 114959565) is N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide is N/C(=N/O)c1cccc(CNS(N)(=O)=O)c1.
What is the InChIKey of N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide?
The InChIKey is UFAWUBUSLOOZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-8(12-13)7-3-1-2-6(4-7)5-11-16(10,14)15/h1-4,11,13H,5H2,(H2,9,12)(H2,10,14,15).
What are the key properties of N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide?
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide has a molecular weight of 244.28 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 114959565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).