3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide

C15H18FN3O4S — CID 67021773

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O4S/c1-11(12-4-2-5-13(16)10-12)18-24(22,23)9-3-7-19-8-6-14(20)17-15(19)21/h2,4-6,8,10-11,18H,3,7,9H2,1H3,(H,17,20,21)/t11-/m1/s1
InChIKeyLEEYIEQXAQRRDD-LLVKDONJSA-N
MW355.39 g/mol
LogP0.75
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 67021773) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID67021773
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O4S/c1-11(12-4-2-5-13(16)10-12)18-24(22,23)9-3-7-19-8-6-14(20)17-15(19)21/h2,4-6,8,10-11,18H,3,7,9H2,1H3,(H,17,20,21)/t11-/m1/s1
InChIKeyLEEYIEQXAQRRDD-LLVKDONJSA-N
XLogP0.75
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide (CID 67021773) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(F)c1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is LEEYIEQXAQRRDD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-11(12-4-2-5-13(16)10-12)18-24(22,23)9-3-7-19-8-6-14(20)17-15(19)21/h2,4-6,8,10-11,18H,3,7,9H2,1H3,(H,17,20,21)/t11-/m1/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 355.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 67021773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).