2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C13H12Cl2FN3O2S — CID 122629334

IUPAC2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H12Cl2FN3O2S/c1-7(2)22(20,21)11-4-3-8(16)5-10(11)18-12-9(14)6-17-13(15)19-12/h3-7H,1-2H3,(H,17,18,19)
InChIKeyVCNNGWMKAYMVOM-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.85
Rot. Bonds4

About 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 122629334) has the molecular formula C13H12Cl2FN3O2S and a molecular weight of 364.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID122629334
Molecular FormulaC13H12Cl2FN3O2S
Molecular Weight364.23 g/mol
Exact Mass363.00
IUPAC Name2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H12Cl2FN3O2S/c1-7(2)22(20,21)11-4-3-8(16)5-10(11)18-12-9(14)6-17-13(15)19-12/h3-7H,1-2H3,(H,17,18,19)
InChIKeyVCNNGWMKAYMVOM-UHFFFAOYSA-N
XLogP3.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine 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 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 122629334) is 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is VCNNGWMKAYMVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3O2S/c1-7(2)22(20,21)11-4-3-8(16)5-10(11)18-12-9(14)6-17-13(15)19-12/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 364.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 122629334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).