2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide

C17H19FN2O3S — CID 30232535

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-2-19-17(21)13-20(12-14-6-4-3-5-7-14)24(22,23)16-10-8-15(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyCOLVTPAAKPQVSB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.15
Rot. Bonds7

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 30232535) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
PubChem CID30232535
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-2-19-17(21)13-20(12-14-6-4-3-5-7-14)24(22,23)16-10-8-15(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyCOLVTPAAKPQVSB-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380497
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
CID 2174588
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)acetamide
CID 126010528
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543966
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide (CID 30232535) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is COLVTPAAKPQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-2-19-17(21)13-20(12-14-6-4-3-5-7-14)24(22,23)16-10-8-15(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 30232535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).