N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide

C21H20FNO2S — CID 602413

IUPACN-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO2S/c22-19-11-13-20(14-12-19)26(24,25)23-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKeyPAUMRPXWECBEGT-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.33
Rot. Bonds7

About N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide

N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide (PubChem CID 602413) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide
PubChem CID602413
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H20FNO2S/c22-19-11-13-20(14-12-19)26(24,25)23-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKeyPAUMRPXWECBEGT-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.33
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)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide (CID 602413) is N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide?
The InChIKey is PAUMRPXWECBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c22-19-11-13-20(14-12-19)26(24,25)23-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2.
What are the key properties of N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide?
N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 602413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).