(3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate

C20H24N2O5S — CID 71532355

IUPAC(3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(OC)c3)cc2)C1=O
InChIInChI=1S/C20H24N2O5S/c1-3-4-12-21-13-14-22(20(21)23)16-8-10-19(11-9-16)28(24,25)27-18-7-5-6-17(15-18)26-2/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyBRZMJKKARZWFQB-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.51
Rot. Bonds8

About (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate

(3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 71532355) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID71532355
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(OC)c3)cc2)C1=O
InChIInChI=1S/C20H24N2O5S/c1-3-4-12-21-13-14-22(20(21)23)16-8-10-19(11-9-16)28(24,25)27-18-7-5-6-17(15-18)26-2/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyBRZMJKKARZWFQB-UHFFFAOYSA-N
XLogP3.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10736348
(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
(3,5-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361618
(3,4,5-Trimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361619
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(2-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363411
(3-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363579
(3-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363580
(3,4-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363681
(4-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363856
(4-Propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363857

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate (CID 71532355) is (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate is CCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(OC)c3)cc2)C1=O.
What is the InChIKey of (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is BRZMJKKARZWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-4-12-21-13-14-22(20(21)23)16-8-10-19(11-9-16)28(24,25)27-18-7-5-6-17(15-18)26-2/h5-11,15H,3-4,12-14H2,1-2H3.
What are the key properties of (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate?
(3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 404.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 71532355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).