N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide

C15H16FNO2S — CID 807610

IUPACN-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c16-15-8-6-13(7-9-15)10-11-17-20(18,19)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKeyNEAJJHXJSAVCBD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide

N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 807610) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID807610
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c16-15-8-6-13(7-9-15)10-11-17-20(18,19)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKeyNEAJJHXJSAVCBD-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide (CID 807610) is N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is NEAJJHXJSAVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-15-8-6-13(7-9-15)10-11-17-20(18,19)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 807610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).