3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide

C17H19FN2O3S — CID 18118763

IUPAC3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3S/c18-15-6-4-5-14(13-15)9-11-19-17(21)10-12-20-24(22,23)16-7-2-1-3-8-16/h1-8,13,20H,9-12H2,(H,19,21)
InChIKeyIKUBMFRMHBRYHQ-UHFFFAOYSA-N
MW350.41 g/mol
LogP1.85
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide

3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide (PubChem CID 18118763) has the molecular formula C17H19FN2O3S and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
PubChem CID18118763
Molecular FormulaC17H19FN2O3S
Molecular Weight350.41 g/mol
Exact Mass350.11
IUPAC Name3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3S/c18-15-6-4-5-14(13-15)9-11-19-17(21)10-12-20-24(22,23)16-7-2-1-3-8-16/h1-8,13,20H,9-12H2,(H,19,21)
InChIKeyIKUBMFRMHBRYHQ-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 51214621
3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 52703842
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide (CID 18118763) is 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NCCc1cccc(F)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The InChIKey is IKUBMFRMHBRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c18-15-6-4-5-14(13-15)9-11-19-17(21)10-12-20-24(22,23)16-7-2-1-3-8-16/h1-8,13,20H,9-12H2,(H,19,21).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide has a molecular weight of 350.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 18118763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).