N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C7H10F2N4O4S — CID 114384143

IUPACN-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10F2N4O4S/c8-7(9,2-10)3-12-18(16,17)4-1-11-6(15)13-5(4)14/h1,12H,2-3,10H2,(H2,11,13,14,15)
InChIKeyQKBZVRKFOAYLHY-UHFFFAOYSA-N
MW284.24 g/mol
LogP-2.06
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 114384143) has the molecular formula C7H10F2N4O4S and a molecular weight of 284.24 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID114384143
Molecular FormulaC7H10F2N4O4S
Molecular Weight284.24 g/mol
Exact Mass284.04
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10F2N4O4S/c8-7(9,2-10)3-12-18(16,17)4-1-11-6(15)13-5(4)14/h1,12H,2-3,10H2,(H2,11,13,14,15)
InChIKeyQKBZVRKFOAYLHY-UHFFFAOYSA-N
XLogP-2.06
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide 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 N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 114384143) is N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is NCC(F)(F)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is QKBZVRKFOAYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O4S/c8-7(9,2-10)3-12-18(16,17)4-1-11-6(15)13-5(4)14/h1,12H,2-3,10H2,(H2,11,13,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 284.24 g/mol, XLogP of -2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 114384143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).