3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide

C12H18FN3O3S — CID 107328384

IUPAC3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C12H18FN3O3S/c1-8-6-10(13)7-9(2)12(8)20(18,19)16(3)5-4-11(14)15-17/h6-7,17H,4-5H2,1-3H3,(H2,14,15)
InChIKeyUNHFXFARAGLABS-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.20
Rot. Bonds5

About 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide

3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 107328384) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID107328384
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C12H18FN3O3S/c1-8-6-10(13)7-9(2)12(8)20(18,19)16(3)5-4-11(14)15-17/h6-7,17H,4-5H2,1-3H3,(H2,14,15)
InChIKeyUNHFXFARAGLABS-UHFFFAOYSA-N
XLogP1.20
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanethioamide
CID 107327646
N'-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethanimidamide
CID 58392990
3-[(5-fluoro-2-methylphenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911520
N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329442
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
N-[(3-aminocyclobutyl)methyl]-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329458
N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
CID 114795590
3-[(3,4-dimethylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 54977733
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanethioamide
CID 107327661
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
3-[(2,5-difluorophenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911538

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (CID 107328384) is 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is Cc1cc(F)cc(C)c1S(=O)(=O)N(C)CCC(N)=NO.
What is the InChIKey of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is UNHFXFARAGLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-8-6-10(13)7-9(2)12(8)20(18,19)16(3)5-4-11(14)15-17/h6-7,17H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 303.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 107328384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).