2-[(3-fluorophenyl)methylsulfonyl]propanamide

C10H12FNO3S — CID 47206767

IUPAC2-[(3-fluorophenyl)methylsulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H12FNO3S/c1-7(10(12)13)16(14,15)6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyLWQNQGFWOAQPTN-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.61
Rot. Bonds4

About 2-[(3-fluorophenyl)methylsulfonyl]propanamide

2-[(3-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 47206767) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfonyl]propanamide
PubChem CID47206767
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-[(3-fluorophenyl)methylsulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H12FNO3S/c1-7(10(12)13)16(14,15)6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyLWQNQGFWOAQPTN-UHFFFAOYSA-N
XLogP0.61
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]propanamide (CID 47206767) is 2-[(3-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfonyl]propanamide is CC(C(N)=O)S(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is LWQNQGFWOAQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7(10(12)13)16(14,15)6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 2-[(3-fluorophenyl)methylsulfonyl]propanamide?
2-[(3-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 245.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 47206767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).