5-(3-chlorophenyl)sulfonylpyrimidin-2-amine

C10H8ClN3O2S — CID 82305723

IUPAC5-(3-chlorophenyl)sulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C10H8ClN3O2S/c11-7-2-1-3-8(4-7)17(15,16)9-5-13-10(12)14-6-9/h1-6H,(H2,12,13,14)
InChIKeyQEZZQPDINSBVRJ-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.54
Rot. Bonds2

About 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine

5-(3-chlorophenyl)sulfonylpyrimidin-2-amine (PubChem CID 82305723) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfonylpyrimidin-2-amine
PubChem CID82305723
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name5-(3-chlorophenyl)sulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C10H8ClN3O2S/c11-7-2-1-3-8(4-7)17(15,16)9-5-13-10(12)14-6-9/h1-6H,(H2,12,13,14)
InChIKeyQEZZQPDINSBVRJ-UHFFFAOYSA-N
XLogP1.54
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)sulfonylpyrimidin-2-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 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine (CID 82305723) is 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine is Nc1ncc(S(=O)(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine?
The InChIKey is QEZZQPDINSBVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-7-2-1-3-8(4-7)17(15,16)9-5-13-10(12)14-6-9/h1-6H,(H2,12,13,14).
What are the key properties of 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine?
5-(3-chlorophenyl)sulfonylpyrimidin-2-amine has a molecular weight of 269.71 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 82305723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).