4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide

C20H17FN2O3S — CID 68946402

IUPAC4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
SMILESCN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN2O3S/c1-23(18-11-7-15(8-12-18)20(22)24)27(25,26)19-4-2-3-16(13-19)14-5-9-17(21)10-6-14/h2-13H,1H3,(H2,22,24)
InChIKeyWYKYVOKVZLJXDA-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.42
Rot. Bonds5

About 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide

4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide (PubChem CID 68946402) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
PubChem CID68946402
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
SMILESCN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN2O3S/c1-23(18-11-7-15(8-12-18)20(22)24)27(25,26)19-4-2-3-16(13-19)14-5-9-17(21)10-6-14/h2-13H,1H3,(H2,22,24)
InChIKeyWYKYVOKVZLJXDA-UHFFFAOYSA-N
XLogP3.42
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide?
The IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide (CID 68946402) is 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide?
The canonical SMILES for 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide is CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide?
The InChIKey is WYKYVOKVZLJXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-23(18-11-7-15(8-12-18)20(22)24)27(25,26)19-4-2-3-16(13-19)14-5-9-17(21)10-6-14/h2-13H,1H3,(H2,22,24).
What are the key properties of 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide?
4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide has a molecular weight of 384.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide is sourced from PubChem (CID 68946402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).