2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H19FN2O3S — CID 3500662

IUPAC2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-5-3-14(4-6-15)13-18(22)20-16-7-9-17(10-8-16)25(23,24)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyQHUSJYVMGAQUJI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3500662) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID3500662
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-5-3-14(4-6-15)13-18(22)20-16-7-9-17(10-8-16)25(23,24)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyQHUSJYVMGAQUJI-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 3500662) is 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QHUSJYVMGAQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-5-3-14(4-6-15)13-18(22)20-16-7-9-17(10-8-16)25(23,24)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3500662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).