4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide

C11H16FN3O3S — CID 76953333

IUPAC4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C11H16FN3O3S/c1-8-4-5-9(12)7-10(8)19(17,18)14-6-2-3-11(13)15-16/h4-5,7,14,16H,2-3,6H2,1H3,(H2,13,15)
InChIKeyGADIFQJJDSSLRD-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.94
Rot. Bonds6

About 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide

4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76953333) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76953333
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C11H16FN3O3S/c1-8-4-5-9(12)7-10(8)19(17,18)14-6-2-3-11(13)15-16/h4-5,7,14,16H,2-3,6H2,1H3,(H2,13,15)
InChIKeyGADIFQJJDSSLRD-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'}

Analyze 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102606
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
CID 76952828
N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
3-[(5-fluoro-2-methylphenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911520
5-fluoro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 113255940
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-fluoro-2-methyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628679
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 105400574
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76953333) is 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide is Cc1ccc(F)cc1S(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is GADIFQJJDSSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8-4-5-9(12)7-10(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-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide?
4-[(5-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-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76953333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).