3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine

C24H27N3O4S2 — CID 67042094

IUPAC3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
SMILESCC(C)N1C(c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)CNC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H27N3O4S2/c1-17(2)27-23(16-26-24(27)33(30,31)21-10-5-4-6-11-21)19-9-7-8-18(12-19)20-13-22(15-25-14-20)32(3,28)29/h4-15,17,23-24,26H,16H2,1-3H3
InChIKeySQJSJNNVRWSJOD-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.26
Rot. Bonds6

About 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine

3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine (PubChem CID 67042094) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
PubChem CID67042094
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
SMILESCC(C)N1C(c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)CNC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H27N3O4S2/c1-17(2)27-23(16-26-24(27)33(30,31)21-10-5-4-6-11-21)19-9-7-8-18(12-19)20-13-22(15-25-14-20)32(3,28)29/h4-15,17,23-24,26H,16H2,1-3H3
InChIKeySQJSJNNVRWSJOD-UHFFFAOYSA-N
XLogP3.26
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
The IUPAC name of 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine (CID 67042094) is 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine.
What is the SMILES notation for 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
The canonical SMILES for 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine is CC(C)N1C(c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)CNC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
The InChIKey is SQJSJNNVRWSJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-17(2)27-23(16-26-24(27)33(30,31)21-10-5-4-6-11-21)19-9-7-8-18(12-19)20-13-22(15-25-14-20)32(3,28)29/h4-15,17,23-24,26H,16H2,1-3H3.
What are the key properties of 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine has a molecular weight of 485.63 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine is sourced from PubChem (CID 67042094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).