3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine

C23H26N2O2S — CID 11418006

IUPAC3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCCc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H26N2O2S/c1-6-19-8-10-20(11-9-19)28(26,27)21-12-7-18(5)24-23(21)25-22-16(3)13-15(2)14-17(22)4/h7-14H,6H2,1-5H3,(H,24,25)
InChIKeyWTPVMNSZEPAWPV-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.45
Rot. Bonds5

About 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine

3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine (PubChem CID 11418006) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
PubChem CID11418006
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCCc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H26N2O2S/c1-6-19-8-10-20(11-9-19)28(26,27)21-12-7-18(5)24-23(21)25-22-16(3)13-15(2)14-17(22)4/h7-14H,6H2,1-5H3,(H,24,25)
InChIKeyWTPVMNSZEPAWPV-UHFFFAOYSA-N
XLogP5.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The IUPAC name of 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine (CID 11418006) is 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine is CCc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The InChIKey is WTPVMNSZEPAWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-6-19-8-10-20(11-9-19)28(26,27)21-12-7-18(5)24-23(21)25-22-16(3)13-15(2)14-17(22)4/h7-14H,6H2,1-5H3,(H,24,25).
What are the key properties of 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine has a molecular weight of 394.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)sulfonyl-6-methyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine is sourced from PubChem (CID 11418006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).