5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H13FN2OS — CID 63667491

IUPAC5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1ccccc1OC
InChIInChI=1S/C14H13FN2OS/c1-18-11-4-2-3-5-13(11)19-12-7-6-9(15)8-10(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeySAKKIDQHIUGOJX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.27
Rot. Bonds4

About 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 63667491) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID63667491
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1ccccc1OC
InChIInChI=1S/C14H13FN2OS/c1-18-11-4-2-3-5-13(11)19-12-7-6-9(15)8-10(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeySAKKIDQHIUGOJX-UHFFFAOYSA-N
XLogP3.27
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107537085
5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
CID 63669702
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 63667150
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256
2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
CID 143262005

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 63667491) is 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Sc1ccccc1OC.
What is the InChIKey of 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is SAKKIDQHIUGOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-18-11-4-2-3-5-13(11)19-12-7-6-9(15)8-10(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 276.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 63667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).