N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide

C17H19FN2O3S — CID 113066552

IUPACN-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-24(22,23)20(13-14-7-3-2-4-8-14)12-11-19-17(21)15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyLMPDSUVHJSRATH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.02
Rot. Bonds7

About N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide

N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide (PubChem CID 113066552) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
PubChem CID113066552
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-24(22,23)20(13-14-7-3-2-4-8-14)12-11-19-17(21)15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyLMPDSUVHJSRATH-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
2-methoxy-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067504
N',N'-dibenzyl-2-fluorobenzohydrazide
CID 9293723

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide (CID 113066552) is N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide is CS(=O)(=O)N(CCNC(=O)c1ccccc1F)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide?
The InChIKey is LMPDSUVHJSRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-24(22,23)20(13-14-7-3-2-4-8-14)12-11-19-17(21)15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide?
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113066552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).