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

C14H12FNO2S — CID 107025880

IUPACN-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H12FNO2S/c1-18-13-8-10(15)4-7-12(13)16-14(17)9-2-5-11(19)6-3-9/h2-8,19H,1H3,(H,16,17)
InChIKeyFPIVZTPVYAYZQH-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.38
Rot. Bonds3

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

N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide (PubChem CID 107025880) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
PubChem CID107025880
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H12FNO2S/c1-18-13-8-10(15)4-7-12(13)16-14(17)9-2-5-11(19)6-3-9/h2-8,19H,1H3,(H,16,17)
InChIKeyFPIVZTPVYAYZQH-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-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide (CID 107025880) is N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide is COc1cc(F)ccc1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide?
The InChIKey is FPIVZTPVYAYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-18-13-8-10(15)4-7-12(13)16-14(17)9-2-5-11(19)6-3-9/h2-8,19H,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide?
N-(4-fluoro-2-methoxyphenyl)-4-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-2-methoxyphenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107025880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).