(4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

C16H17N3O4S — CID 53363775

IUPAC(4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)ccc1N
InChIInChI=1S/C16H17N3O4S/c1-11-10-13(4-7-15(11)17)23-24(21,22)14-5-2-12(3-6-14)19-9-8-18-16(19)20/h2-7,10H,8-9,17H2,1H3,(H,18,20)
InChIKeyIQTRQRMEKPZEQX-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.87
Rot. Bonds4

About (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

(4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363775) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363775
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name(4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)ccc1N
InChIInChI=1S/C16H17N3O4S/c1-11-10-13(4-7-15(11)17)23-24(21,22)14-5-2-12(3-6-14)19-9-8-18-16(19)20/h2-7,10H,8-9,17H2,1H3,(H,18,20)
InChIKeyIQTRQRMEKPZEQX-UHFFFAOYSA-N
XLogP1.87
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
[4-(Dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363323
(2-Ethylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363408
(2-Propylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363409
(2-Fluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363413
(2-Iodophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363492
(2,3-Dimethylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363494
(2,4-Dimethylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363495
(2,5-Dimethylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363496
(2,4,5-Trimethylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363497

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363775) is (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is Cc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is IQTRQRMEKPZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11-10-13(4-7-15(11)17)23-24(21,22)14-5-2-12(3-6-14)19-9-8-18-16(19)20/h2-7,10H,8-9,17H2,1H3,(H,18,20).
What are the key properties of (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 347.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).