3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide

C11H17FN4O4S — CID 114816593

IUPAC3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
SMILESCOCCNS(=O)(=O)NCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C11H17FN4O4S/c1-20-5-4-14-21(18,19)15-7-9-3-2-8(6-10(9)12)11(13)16-17/h2-3,6,14-15,17H,4-5,7H2,1H3,(H2,13,16)
InChIKeyQDWGDOGXALCLOM-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.51
Rot. Bonds8

About 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide (PubChem CID 114816593) has the molecular formula C11H17FN4O4S and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
PubChem CID114816593
Molecular FormulaC11H17FN4O4S
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC Name3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
SMILESCOCCNS(=O)(=O)NCc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C11H17FN4O4S/c1-20-5-4-14-21(18,19)15-7-9-3-2-8(6-10(9)12)11(13)16-17/h2-3,6,14-15,17H,4-5,7H2,1H3,(H2,13,16)
InChIKeyQDWGDOGXALCLOM-UHFFFAOYSA-N
XLogP-0.51
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-fluoro-N'-hydroxy-4-[(2-methylpropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816592
4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 114812348
4-[[(4-chlorophenyl)sulfonylamino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 141280678
3-fluoro-N'-hydroxy-4-[(3-methylsulfonylpropylamino)methyl]benzenecarboximidamide
CID 77031947
3-fluoro-N'-hydroxy-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarboximidamide
CID 76995429
methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
3-fluoro-N'-hydroxy-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106161719
3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813290
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
3-fluoro-4-[(2-methylpropylsulfamoylamino)methyl]benzenecarbothioamide
CID 114815290

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide (CID 114816593) is 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide is COCCNS(=O)(=O)NCc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
The InChIKey is QDWGDOGXALCLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O4S/c1-20-5-4-14-21(18,19)15-7-9-3-2-8(6-10(9)12)11(13)16-17/h2-3,6,14-15,17H,4-5,7H2,1H3,(H2,13,16).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide has a molecular weight of 320.35 g/mol, XLogP of -0.51, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 114816593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).