N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide

C14H12FNO2S — CID 107036539

IUPACN-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2S)ccc1F
InChIInChI=1S/C14H12FNO2S/c1-18-12-8-9(6-7-11(12)15)16-14(17)10-4-2-3-5-13(10)19/h2-8,19H,1H3,(H,16,17)
InChIKeyQEBMBDNJCSQGOY-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.38
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide

N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide (PubChem CID 107036539) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide
PubChem CID107036539
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2S)ccc1F
InChIInChI=1S/C14H12FNO2S/c1-18-12-8-9(6-7-11(12)15)16-14(17)10-4-2-3-5-13(10)19/h2-8,19H,1H3,(H,16,17)
InChIKeyQEBMBDNJCSQGOY-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
N-(4-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 114840514
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
CID 113220462

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide (CID 107036539) is N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide is COc1cc(NC(=O)c2ccccc2S)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide?
The InChIKey is QEBMBDNJCSQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-18-12-8-9(6-7-11(12)15)16-14(17)10-4-2-3-5-13(10)19/h2-8,19H,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide?
N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide has a molecular weight of 277.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107036539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).