5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide

C17H13FN2S — CID 63669702

IUPAC5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H13FN2S/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H3,19,20)
InChIKeySPMQGHOTDRVRFS-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.41
Rot. Bonds3

About 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide

5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide (PubChem CID 63669702) has the molecular formula C17H13FN2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
PubChem CID63669702
Molecular FormulaC17H13FN2S
Molecular Weight296.37 g/mol
Exact Mass296.08
IUPAC Name5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H13FN2S/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H3,19,20)
InChIKeySPMQGHOTDRVRFS-UHFFFAOYSA-N
XLogP4.41
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
4-fluoro-2-naphthalen-2-ylsulfanylaniline
CID 62376124
5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 63667150
5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde
CID 63802214
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63668339
5-bromo-2-(4-propan-2-ylphenyl)sulfanylbenzenecarboximidamide
CID 114893597
2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
CID 43519184
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
2-amino-4-fluorobenzenecarboximidamide
CID 140514748

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide (CID 63669702) is 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Sc1ccc2ccccc2c1.
What is the InChIKey of 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is SPMQGHOTDRVRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2S/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H3,19,20).
What are the key properties of 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide?
5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 296.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 63669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).