2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide

C10H13FN2O4S — CID 43890558

IUPAC2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(N)=O
InChIInChI=1S/C10H13FN2O4S/c1-6(10(12)14)13-18(15,16)9-5-7(11)3-4-8(9)17-2/h3-6,13H,1-2H3,(H2,12,14)
InChIKeyHAICZRKJDGCELL-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.01
Rot. Bonds5

About 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide

2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 43890558) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
PubChem CID43890558
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(N)=O
InChIInChI=1S/C10H13FN2O4S/c1-6(10(12)14)13-18(15,16)9-5-7(11)3-4-8(9)17-2/h3-6,13H,1-2H3,(H2,12,14)
InChIKeyHAICZRKJDGCELL-UHFFFAOYSA-N
XLogP-0.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide (CID 43890558) is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(F)cc1S(=O)(=O)NC(C)C(N)=O.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is HAICZRKJDGCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-6(10(12)14)13-18(15,16)9-5-7(11)3-4-8(9)17-2/h3-6,13H,1-2H3,(H2,12,14).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide?
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 276.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).