N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide

C22H22FNO2S — CID 56513646

IUPACN-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22FNO2S/c23-21-13-7-8-18(16-21)17-27(25,26)24-15-14-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22,24H,14-15,17H2
InChIKeyDFFWQVMITOTZIR-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.47
Rot. Bonds8

About N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide

N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 56513646) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide
PubChem CID56513646
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22FNO2S/c23-21-13-7-8-18(16-21)17-27(25,26)24-15-14-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22,24H,14-15,17H2
InChIKeyDFFWQVMITOTZIR-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide (CID 56513646) is N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is DFFWQVMITOTZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2S/c23-21-13-7-8-18(16-21)17-27(25,26)24-15-14-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22,24H,14-15,17H2.
What are the key properties of N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide?
N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 56513646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).