3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide

C12H10F2N2O2S — CID 107780236

IUPAC3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
SMILESCc1occc1Sc1c(F)cc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H10F2N2O2S/c1-6-10(2-3-18-6)19-11-8(13)4-7(5-9(11)14)12(15)16-17/h2-5,17H,1H3,(H2,15,16)
InChIKeyNDSZYRHLWWMBRB-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.11
Rot. Bonds3

About 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide (PubChem CID 107780236) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
PubChem CID107780236
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
SMILESCc1occc1Sc1c(F)cc(/C(N)=N/O)cc1F
InChIInChI=1S/C12H10F2N2O2S/c1-6-10(2-3-18-6)19-11-8(13)4-7(5-9(11)14)12(15)16-17/h2-5,17H,1H3,(H2,15,16)
InChIKeyNDSZYRHLWWMBRB-UHFFFAOYSA-N
XLogP3.11
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.11
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-Fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 43657611
[3,5-Difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 63807966
2-bromo-3-fluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780239
N'-hydroxy-2-(2-methylfuran-3-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 107780249
N'-hydroxy-5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 107780259
N'-hydroxy-4-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 107780271
5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780274
3-fluoro-N'-hydroxy-4-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780316
2-fluoro-N'-hydroxy-3-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780317
5-fluoro-N'-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780326
3-fluoro-N'-hydroxy-5-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780333
2-Fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780385

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide (CID 107780236) is 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide is Cc1occc1Sc1c(F)cc(/C(N)=N/O)cc1F.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The InChIKey is NDSZYRHLWWMBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-6-10(2-3-18-6)19-11-8(13)4-7(5-9(11)14)12(15)16-17/h2-5,17H,1H3,(H2,15,16).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide has a molecular weight of 284.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107780236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).