5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine

C24H21N3O4S2 — CID 71594254

IUPAC5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)c2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-32(28,29)20-8-3-16(4-9-20)19-13-22(24(25)27-15-19)18-7-12-23(26-14-18)17-5-10-21(11-6-17)33(2,30)31/h3-15H,1-2H3,(H2,25,27)
InChIKeyDZCZGUFZRIEHFY-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.87
Rot. Bonds5

About 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine (PubChem CID 71594254) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine
PubChem CID71594254
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)c2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-32(28,29)20-8-3-16(4-9-20)19-13-22(24(25)27-15-19)18-7-12-23(26-14-18)17-5-10-21(11-6-17)33(2,30)31/h3-15H,1-2H3,(H2,25,27)
InChIKeyDZCZGUFZRIEHFY-UHFFFAOYSA-N
XLogP3.87
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine (CID 71594254) is 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is DZCZGUFZRIEHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-32(28,29)20-8-3-16(4-9-20)19-13-22(24(25)27-15-19)18-7-12-23(26-14-18)17-5-10-21(11-6-17)33(2,30)31/h3-15H,1-2H3,(H2,25,27).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 479.58 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[6-(4-methylsulfonylphenyl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 71594254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).