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

C16H18FNO2S — CID 10494940

IUPACN-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO2S/c1-12(11-18-21(2,19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12,18H,11H2,1-2H3
InChIKeyUEECDYGKPOBENA-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.15
Rot. Bonds5

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

N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide (PubChem CID 10494940) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
PubChem CID10494940
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H18FNO2S/c1-12(11-18-21(2,19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12,18H,11H2,1-2H3
InChIKeyUEECDYGKPOBENA-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.15
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]methanesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide (CID 10494940) is N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide is CC(CNS(C)(=O)=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
The InChIKey is UEECDYGKPOBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-12(11-18-21(2,19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide?
N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.15, 5 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]methanesulfonamide is sourced from PubChem (CID 10494940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).