4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide

C19H19FN4O4S — CID 3238225

IUPAC4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H19FN4O4S/c20-15-5-1-14(2-6-15)12-24-18(25)11-17(23-19(24)26)22-10-9-13-3-7-16(8-4-13)29(21,27)28/h1-8,11,22H,9-10,12H2,(H,23,26)(H2,21,27,28)
InChIKeyOGGUYDNBKYTTHC-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.03
Rot. Bonds7

About 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide

4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide (PubChem CID 3238225) has the molecular formula C19H19FN4O4S and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide
PubChem CID3238225
Molecular FormulaC19H19FN4O4S
Molecular Weight418.45 g/mol
Exact Mass418.11
IUPAC Name4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H19FN4O4S/c20-15-5-1-14(2-6-15)12-24-18(25)11-17(23-19(24)26)22-10-9-13-3-7-16(8-4-13)29(21,27)28/h1-8,11,22H,9-10,12H2,(H,23,26)(H2,21,27,28)
InChIKeyOGGUYDNBKYTTHC-UHFFFAOYSA-N
XLogP1.03
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide (CID 3238225) is 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is OGGUYDNBKYTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S/c20-15-5-1-14(2-6-15)12-24-18(25)11-17(23-19(24)26)22-10-9-13-3-7-16(8-4-13)29(21,27)28/h1-8,11,22H,9-10,12H2,(H,23,26)(H2,21,27,28).
What are the key properties of 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 418.45 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 3238225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).