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

C22H24N2O2S — CID 11245983

IUPAC6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H24N2O2S/c1-14-6-9-19(10-7-14)27(25,26)20-11-8-18(5)23-22(20)24-21-16(3)12-15(2)13-17(21)4/h6-13H,1-5H3,(H,23,24)
InChIKeyVEYJKVDTZSJZQR-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.20
Rot. Bonds4

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

6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine (PubChem CID 11245983) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
PubChem CID11245983
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H24N2O2S/c1-14-6-9-19(10-7-14)27(25,26)20-11-8-18(5)23-22(20)24-21-16(3)12-15(2)13-17(21)4/h6-13H,1-5H3,(H,23,24)
InChIKeyVEYJKVDTZSJZQR-UHFFFAOYSA-N
XLogP5.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The IUPAC name of 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine (CID 11245983) is 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine is Cc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The InChIKey is VEYJKVDTZSJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14-6-9-19(10-7-14)27(25,26)20-11-8-18(5)23-22(20)24-21-16(3)12-15(2)13-17(21)4/h6-13H,1-5H3,(H,23,24).
What are the key properties of 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine has a molecular weight of 380.51 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine is sourced from PubChem (CID 11245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).