3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide

C14H13F2N3O4S — CID 19850887

IUPAC3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
SMILESCS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O4S/c1-24(21,22)19-11-4-2-8(14(17)18-20)6-13(11)23-12-5-3-9(15)7-10(12)16/h2-7,19-20H,1H3,(H2,17,18)
InChIKeyAGKZAOFCJQWCNY-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.22
Rot. Bonds5

About 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide

3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide (PubChem CID 19850887) has the molecular formula C14H13F2N3O4S and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
PubChem CID19850887
Molecular FormulaC14H13F2N3O4S
Molecular Weight357.34 g/mol
Exact Mass357.06
IUPAC Name3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
SMILESCS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O4S/c1-24(21,22)19-11-4-2-8(14(17)18-20)6-13(11)23-12-5-3-9(15)7-10(12)16/h2-7,19-20H,1H3,(H2,17,18)
InChIKeyAGKZAOFCJQWCNY-UHFFFAOYSA-N
XLogP2.22
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[2-(2,4-difluorophenoxy)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methanesulfonamide
CID 10316217
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
CID 10316216
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
[(E)-1-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]ethylideneamino]thiourea
CID 11742516
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
CID 10317066
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
CID 10738085
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide?
The IUPAC name of 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide (CID 19850887) is 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide?
The canonical SMILES for 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide is CS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Oc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide?
The InChIKey is AGKZAOFCJQWCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O4S/c1-24(21,22)19-11-4-2-8(14(17)18-20)6-13(11)23-12-5-3-9(15)7-10(12)16/h2-7,19-20H,1H3,(H2,17,18).
What are the key properties of 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide?
3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide has a molecular weight of 357.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide is sourced from PubChem (CID 19850887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).