2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine

C15H17ClN2O2S — CID 87250804

IUPAC2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine
SMILESCc1cnc(Cl)cc1Nc1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C15H17ClN2O2S/c1-10(2)21(19,20)14-7-5-4-6-12(14)18-13-8-15(16)17-9-11(13)3/h4-10H,1-3H3,(H,17,18)
InChIKeyQTMSEFLPFREDPG-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine

2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine (PubChem CID 87250804) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine
PubChem CID87250804
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine
SMILESCc1cnc(Cl)cc1Nc1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C15H17ClN2O2S/c1-10(2)21(19,20)14-7-5-4-6-12(14)18-13-8-15(16)17-9-11(13)3/h4-10H,1-3H3,(H,17,18)
InChIKeyQTMSEFLPFREDPG-UHFFFAOYSA-N
XLogP3.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine (CID 87250804) is 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine is Cc1cnc(Cl)cc1Nc1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine?
The InChIKey is QTMSEFLPFREDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10(2)21(19,20)14-7-5-4-6-12(14)18-13-8-15(16)17-9-11(13)3/h4-10H,1-3H3,(H,17,18).
What are the key properties of 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine?
2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine has a molecular weight of 324.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine is sourced from PubChem (CID 87250804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).