2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide

C10H15FN4O4S — CID 114816573

IUPAC2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
SMILESCOCCNS(=O)(=O)Nc1cccc(F)c1/C(N)=N/O
InChIInChI=1S/C10H15FN4O4S/c1-19-6-5-13-20(17,18)15-8-4-2-3-7(11)9(8)10(12)14-16/h2-4,13,15-16H,5-6H2,1H3,(H2,12,14)
InChIKeyHBFGXUYWJWMUSD-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.19
Rot. Bonds7

About 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide (PubChem CID 114816573) has the molecular formula C10H15FN4O4S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
PubChem CID114816573
Molecular FormulaC10H15FN4O4S
Molecular Weight306.32 g/mol
Exact Mass306.08
IUPAC Name2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
SMILESCOCCNS(=O)(=O)Nc1cccc(F)c1/C(N)=N/O
InChIInChI=1S/C10H15FN4O4S/c1-19-6-5-13-20(17,18)15-8-4-2-3-7(11)9(8)10(12)14-16/h2-4,13,15-16H,5-6H2,1H3,(H2,12,14)
InChIKeyHBFGXUYWJWMUSD-UHFFFAOYSA-N
XLogP-0.19
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.19
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

4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
2-fluoro-N'-hydroxy-6-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593088
3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816593
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608
2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
CID 114815567
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
CID 114815993
4-chloro-2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815307
5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
CID 107592648
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide (CID 114816573) is 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide is COCCNS(=O)(=O)Nc1cccc(F)c1/C(N)=N/O.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
The InChIKey is HBFGXUYWJWMUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O4S/c1-19-6-5-13-20(17,18)15-8-4-2-3-7(11)9(8)10(12)14-16/h2-4,13,15-16H,5-6H2,1H3,(H2,12,14).
What are the key properties of 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide has a molecular weight of 306.32 g/mol, XLogP of -0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 114816573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).