4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide

C11H16FN3O3S — CID 55102606

IUPAC4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCC/C(N)=N/O
InChIInChI=1S/C11H16FN3O3S/c1-8-7-9(12)4-5-10(8)19(17,18)14-6-2-3-11(13)15-16/h4-5,7,14,16H,2-3,6H2,1H3,(H2,13,15)
InChIKeyYYRKFXSRSBKOCG-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.94
Rot. Bonds6

About 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide

4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 55102606) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID55102606
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCC/C(N)=N/O
InChIInChI=1S/C11H16FN3O3S/c1-8-7-9(12)4-5-10(8)19(17,18)14-6-2-3-11(13)15-16/h4-5,7,14,16H,2-3,6H2,1H3,(H2,13,15)
InChIKeyYYRKFXSRSBKOCG-UHFFFAOYSA-N
XLogP0.94
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76953333
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
CID 76952828
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 55102606) is 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide is Cc1cc(F)ccc1S(=O)(=O)NCCC/C(N)=N/O.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is YYRKFXSRSBKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8-7-9(12)4-5-10(8)19(17,18)14-6-2-3-11(13)15-16/h4-5,7,14,16H,2-3,6H2,1H3,(H2,13,15).
What are the key properties of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 289.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 55102606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).