5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide

C13H10FN3O3S — CID 77004177

IUPAC5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3S/c14-8-5-6-11(9(7-8)13(15)16-18)21-12-4-2-1-3-10(12)17(19)20/h1-7,18H,(H2,15,16)
InChIKeyFDHVSYARAYVVTG-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.98
Rot. Bonds4

About 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide

5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide (PubChem CID 77004177) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
PubChem CID77004177
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC Name5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3S/c14-8-5-6-11(9(7-8)13(15)16-18)21-12-4-2-1-3-10(12)17(19)20/h1-7,18H,(H2,15,16)
InChIKeyFDHVSYARAYVVTG-UHFFFAOYSA-N
XLogP2.98
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
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': 'nitro_group', '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

(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370307
N'-hydroxy-4-(2-methylphenyl)sulfanyl-3-nitrobenzenecarboximidamide
CID 76935026
2-(5-fluoro-2-nitrophenyl)sulfanylphenol
CID 62375935
2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
CID 43439407
methyl 2-(5-fluoro-2-nitrophenyl)sulfanylbenzoate
CID 174909125
1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801526
(1R)-1-[3-fluoro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370294
4-fluoro-1-[(4-fluoro-2-nitrophenyl)disulfanyl]-2-nitrobenzene
CID 13238249
1-fluoro-2-nitro-3-(2-nitrophenyl)sulfanylbenzene
CID 62690853
2-(4-carbamoyl-2-nitrophenyl)sulfanylbenzoic acid
CID 5239281
2-bromo-3-fluoro-4-(2-nitrophenyl)sulfanylbenzoic acid
CID 107540835
(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
CID 71386459

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide (CID 77004177) is 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide is NC(=NO)c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide?
The InChIKey is FDHVSYARAYVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c14-8-5-6-11(9(7-8)13(15)16-18)21-12-4-2-1-3-10(12)17(19)20/h1-7,18H,(H2,15,16).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide has a molecular weight of 307.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(2-nitrophenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 77004177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).