3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide

C11H17N3O3S — CID 77017191

IUPAC3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(C(N)=NO)c1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)18(16,17)14-9-6-4-5-8(7-9)10(12)13-15/h4-7,14-15H,1-3H3,(H2,12,13)
InChIKeyZCBATWTUNQOOMF-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.32
Rot. Bonds3

About 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide

3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 77017191) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID77017191
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(C(N)=NO)c1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)18(16,17)14-9-6-4-5-8(7-9)10(12)13-15/h4-7,14-15H,1-3H3,(H2,12,13)
InChIKeyZCBATWTUNQOOMF-UHFFFAOYSA-N
XLogP1.32
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.32
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

N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
N'-hydroxy-3-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 76942000
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
CID 86661514
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77021138
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
3-(sulfamoylamino)benzamide
CID 57051238
ethane;methyl 3-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 143509300
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide (CID 77017191) is 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide is CC(C)(C)S(=O)(=O)Nc1cccc(C(N)=NO)c1.
What is the InChIKey of 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZCBATWTUNQOOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)18(16,17)14-9-6-4-5-8(7-9)10(12)13-15/h4-7,14-15H,1-3H3,(H2,12,13).
What are the key properties of 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 271.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77017191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).