N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide

C21H20FNO2S — CID 10737832

IUPACN-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H20FNO2S/c1-16(15-23-26(24,25)19-7-3-2-4-8-19)17-11-13-18(14-12-17)20-9-5-6-10-21(20)22/h2-14,16,23H,15H2,1H3
InChIKeyQBOPEOAWRHGLFY-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.57
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide

N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide (PubChem CID 10737832) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide
PubChem CID10737832
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H20FNO2S/c1-16(15-23-26(24,25)19-7-3-2-4-8-19)17-11-13-18(14-12-17)20-9-5-6-10-21(20)22/h2-14,16,23H,15H2,1H3
InChIKeyQBOPEOAWRHGLFY-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide (CID 10737832) is N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide?
The InChIKey is QBOPEOAWRHGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-16(15-23-26(24,25)19-7-3-2-4-8-19)17-11-13-18(14-12-17)20-9-5-6-10-21(20)22/h2-14,16,23H,15H2,1H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide?
N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)phenyl]propyl]benzenesulfonamide is sourced from PubChem (CID 10737832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).