2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide

C17H18F2N2O3S — CID 113066894

IUPAC2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1F)Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(12-13-6-2-4-8-15(13)18)11-10-20-17(22)14-7-3-5-9-16(14)19/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyGGERHVMJSIBENK-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.16
Rot. Bonds7

About 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide

2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113066894) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113066894
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1F)Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(12-13-6-2-4-8-15(13)18)11-10-20-17(22)14-7-3-5-9-16(14)19/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyGGERHVMJSIBENK-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889
tert-butyl N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066925
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100771196
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide (CID 113066894) is 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1ccccc1F)Cc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is GGERHVMJSIBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-25(23,24)21(12-13-6-2-4-8-15(13)18)11-10-20-17(22)14-7-3-5-9-16(14)19/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 368.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113066894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).