6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine

C11H10ClN3O2S — CID 71413797

IUPAC6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Cl)cc(Nc2ccccc2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeySWYVAWGNVRPFEE-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.28
Rot. Bonds3

About 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine

6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine (PubChem CID 71413797) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine
PubChem CID71413797
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Cl)cc(Nc2ccccc2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeySWYVAWGNVRPFEE-UHFFFAOYSA-N
XLogP2.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-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 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine (CID 71413797) is 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine is CS(=O)(=O)c1nc(Cl)cc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
The InChIKey is SWYVAWGNVRPFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-18(16,17)11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine has a molecular weight of 283.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfonyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 71413797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).