3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine

C24H27N3O4S2 — CID 67042095

IUPAC3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
SMILESCC(C)N1CN(S(=O)(=O)c2ccccc2)CC1c1cccc(-c2cncc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C24H27N3O4S2/c1-18(2)27-17-26(33(30,31)22-10-5-4-6-11-22)16-24(27)20-9-7-8-19(12-20)21-13-23(15-25-14-21)32(3,28)29/h4-15,18,24H,16-17H2,1-3H3
InChIKeyBHZAFEGRUOGQHZ-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.57
Rot. Bonds6

About 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine

3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine (PubChem CID 67042095) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
PubChem CID67042095
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
SMILESCC(C)N1CN(S(=O)(=O)c2ccccc2)CC1c1cccc(-c2cncc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C24H27N3O4S2/c1-18(2)27-17-26(33(30,31)22-10-5-4-6-11-22)16-24(27)20-9-7-8-19(12-20)21-13-23(15-25-14-21)32(3,28)29/h4-15,18,24H,16-17H2,1-3H3
InChIKeyBHZAFEGRUOGQHZ-UHFFFAOYSA-N
XLogP3.57
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
The IUPAC name of 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine (CID 67042095) is 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine.
What is the SMILES notation for 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
The canonical SMILES for 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine is CC(C)N1CN(S(=O)(=O)c2ccccc2)CC1c1cccc(-c2cncc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
The InChIKey is BHZAFEGRUOGQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-18(2)27-17-26(33(30,31)22-10-5-4-6-11-22)16-24(27)20-9-7-8-19(12-20)21-13-23(15-25-14-21)32(3,28)29/h4-15,18,24H,16-17H2,1-3H3.
What are the key properties of 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine?
3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine has a molecular weight of 485.63 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine is sourced from PubChem (CID 67042095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).