4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide

C10H14FN3O3S — CID 55102556

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESN/C(CCCNS(=O)(=O)c1ccc(F)cc1)=N/O
InChIInChI=1S/C10H14FN3O3S/c11-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(12)14-15/h3-6,13,15H,1-2,7H2,(H2,12,14)
InChIKeyYTMMMVJBZNKUMT-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.63
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide

4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 55102556) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID55102556
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESN/C(CCCNS(=O)(=O)c1ccc(F)cc1)=N/O
InChIInChI=1S/C10H14FN3O3S/c11-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(12)14-15/h3-6,13,15H,1-2,7H2,(H2,12,14)
InChIKeyYTMMMVJBZNKUMT-UHFFFAOYSA-N
XLogP0.63
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.63
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-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102606
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
CID 76952828
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260
5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 77036740
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 55102556) is 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide is N/C(CCCNS(=O)(=O)c1ccc(F)cc1)=N/O.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is YTMMMVJBZNKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c11-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(12)14-15/h3-6,13,15H,1-2,7H2,(H2,12,14).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 275.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 55102556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).