[4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

C17H19N3O4S — CID 53363323

IUPAC[4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCN(C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-19(2)13-3-7-15(8-4-13)24-25(22,23)16-9-5-14(6-10-16)20-12-11-18-17(20)21/h3-10H,11-12H2,1-2H3,(H,18,21)
InChIKeyUGDYATAZSWZKDO-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.05
Rot. Bonds5

About [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

[4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363323) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363323
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name[4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCN(C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-19(2)13-3-7-15(8-4-13)24-25(22,23)16-9-5-14(6-10-16)20-12-11-18-17(20)21/h3-10H,11-12H2,1-2H3,(H,18,21)
InChIKeyUGDYATAZSWZKDO-UHFFFAOYSA-N
XLogP2.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-Phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate
CID 122184985
(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
(3-Chlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361617
(3,5-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361618
(2-Methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363320
(3-Methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363321
(4-Methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363322
(2-Ethylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363408
(2-Propylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363409
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(2-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363411
(2-Chlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363412

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363323) is [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is CN(C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is UGDYATAZSWZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-19(2)13-3-7-15(8-4-13)24-25(22,23)16-9-5-14(6-10-16)20-12-11-18-17(20)21/h3-10H,11-12H2,1-2H3,(H,18,21).
What are the key properties of [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
[4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 361.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).