3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide

C15H14FNO3S — CID 6458572

IUPAC3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-13-8-4-5-9-14(13)17-15(18)10-11-21(19,20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyIVHRCFDKCDFOKW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.63
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide

3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide (PubChem CID 6458572) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide
PubChem CID6458572
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-13-8-4-5-9-14(13)17-15(18)10-11-21(19,20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyIVHRCFDKCDFOKW-UHFFFAOYSA-N
XLogP2.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide (CID 6458572) is 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide?
The InChIKey is IVHRCFDKCDFOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-8-4-5-9-14(13)17-15(18)10-11-21(19,20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide?
3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 6458572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).