5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C15H14ClN5O2S — CID 2821062

IUPAC5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N)n2)n1
InChIInChI=1S/C15H14ClN5O2S/c1-9-7-10(2)21(20-9)15-18-8-13(14(17)19-15)24(22,23)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyMMPLZTSNEULABH-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.35
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 2821062) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID2821062
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N)n2)n1
InChIInChI=1S/C15H14ClN5O2S/c1-9-7-10(2)21(20-9)15-18-8-13(14(17)19-15)24(22,23)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyMMPLZTSNEULABH-UHFFFAOYSA-N
XLogP2.35
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 2821062) is 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N)n2)n1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is MMPLZTSNEULABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-9-7-10(2)21(20-9)15-18-8-13(14(17)19-15)24(22,23)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 363.83 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 2821062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).