1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine

C18H22N2O4S2 — CID 3243141

IUPAC1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine
SMILESCC(C)C1N(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S2/c1-15(2)18-19(25(21,22)16-9-5-3-6-10-16)13-14-20(18)26(23,24)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyJJPXCSUPYPOXSD-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.36
Rot. Bonds5

About 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine

1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine (PubChem CID 3243141) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine.

Molecular Properties

Compound Name1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine
PubChem CID3243141
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine
SMILESCC(C)C1N(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S2/c1-15(2)18-19(25(21,22)16-9-5-3-6-10-16)13-14-20(18)26(23,24)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyJJPXCSUPYPOXSD-UHFFFAOYSA-N
XLogP2.36
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine?
The IUPAC name of 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine (CID 3243141) is 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine.
What is the SMILES notation for 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine?
The canonical SMILES for 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine is CC(C)C1N(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine?
The InChIKey is JJPXCSUPYPOXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-15(2)18-19(25(21,22)16-9-5-3-6-10-16)13-14-20(18)26(23,24)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3.
What are the key properties of 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine?
1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine has a molecular weight of 394.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(benzenesulfonyl)-2-propan-2-ylimidazolidine is sourced from PubChem (CID 3243141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).