N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide

C20H16FNO3S — CID 55978837

IUPACN-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C20H16FNO3S/c1-26(24)19-11-5-14(6-12-19)20(23)22-16-7-9-17(10-8-16)25-18-4-2-3-15(21)13-18/h2-13H,1H3,(H,22,23)
InChIKeyIBFSFWKXTDKNIR-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.61
Rot. Bonds5

About N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide

N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide (PubChem CID 55978837) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
PubChem CID55978837
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC NameN-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C20H16FNO3S/c1-26(24)19-11-5-14(6-12-19)20(23)22-16-7-9-17(10-8-16)25-18-4-2-3-15(21)13-18/h2-13H,1H3,(H,22,23)
InChIKeyIBFSFWKXTDKNIR-UHFFFAOYSA-N
XLogP4.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(4-methoxyphenyl)-4-methylsulfinylbenzamide
CID 51191498
N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
(4-benzamidophenyl) 4-methylsulfinylbenzoate
CID 51182394
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide (CID 55978837) is N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide is CS(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide?
The InChIKey is IBFSFWKXTDKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-26(24)19-11-5-14(6-12-19)20(23)22-16-7-9-17(10-8-16)25-18-4-2-3-15(21)13-18/h2-13H,1H3,(H,22,23).
What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide?
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 55978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).