N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide

C16H15F2NO3S — CID 51101648

IUPACN-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H15F2NO3S/c1-23(21,22)15-4-2-3-12(9-15)16(20)19-6-5-11-7-13(17)10-14(18)8-11/h2-4,7-10H,5-6H2,1H3,(H,19,20)
InChIKeyMXGJFEGQEVZFAC-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide

N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide (PubChem CID 51101648) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
PubChem CID51101648
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H15F2NO3S/c1-23(21,22)15-4-2-3-12(9-15)16(20)19-6-5-11-7-13(17)10-14(18)8-11/h2-4,7-10H,5-6H2,1H3,(H,19,20)
InChIKeyMXGJFEGQEVZFAC-UHFFFAOYSA-N
XLogP2.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide (CID 51101648) is N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCCc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide?
The InChIKey is MXGJFEGQEVZFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-23(21,22)15-4-2-3-12(9-15)16(20)19-6-5-11-7-13(17)10-14(18)8-11/h2-4,7-10H,5-6H2,1H3,(H,19,20).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide?
N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide has a molecular weight of 339.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 51101648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).