N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide

C22H20FNO3S — CID 8850528

IUPACN-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FNO3S/c23-19-11-13-21(14-12-19)28(26,27)16-15-22(25)24(20-9-5-2-6-10-20)17-18-7-3-1-4-8-18/h1-14H,15-17H2
InChIKeyOEMIIHZCUSBTDT-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.22
Rot. Bonds7

About N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide

N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide (PubChem CID 8850528) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide
PubChem CID8850528
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC NameN-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FNO3S/c23-19-11-13-21(14-12-19)28(26,27)16-15-22(25)24(20-9-5-2-6-10-20)17-18-7-3-1-4-8-18/h1-14H,15-17H2
InChIKeyOEMIIHZCUSBTDT-UHFFFAOYSA-N
XLogP4.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide (CID 8850528) is N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide?
The InChIKey is OEMIIHZCUSBTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c23-19-11-13-21(14-12-19)28(26,27)16-15-22(25)24(20-9-5-2-6-10-20)17-18-7-3-1-4-8-18/h1-14H,15-17H2.
What are the key properties of N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide?
N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide has a molecular weight of 397.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)sulfonyl-N-phenylpropanamide is sourced from PubChem (CID 8850528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).