3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

C10H14FN3O3S — CID 55102286

IUPAC3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)c1cccc(F)c1)/C(N)=N/O
InChIInChI=1S/C10H14FN3O3S/c1-7(10(12)14-15)6-13-18(16,17)9-4-2-3-8(11)5-9/h2-5,7,13,15H,6H2,1H3,(H2,12,14)
InChIKeyCNOFMFQWKOELTB-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.49
Rot. Bonds5

About 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 55102286) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID55102286
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)c1cccc(F)c1)/C(N)=N/O
InChIInChI=1S/C10H14FN3O3S/c1-7(10(12)14-15)6-13-18(16,17)9-4-2-3-8(11)5-9/h2-5,7,13,15H,6H2,1H3,(H2,12,14)
InChIKeyCNOFMFQWKOELTB-UHFFFAOYSA-N
XLogP0.49
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.49
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

3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961629

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (CID 55102286) is 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CNS(=O)(=O)c1cccc(F)c1)/C(N)=N/O.
What is the InChIKey of 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is CNOFMFQWKOELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-7(10(12)14-15)6-13-18(16,17)9-4-2-3-8(11)5-9/h2-5,7,13,15H,6H2,1H3,(H2,12,14).
What are the key properties of 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 275.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 55102286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).