1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea

C15H15Cl2N3O2S2 — CID 19680524

IUPAC1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O2S2/c1-2-18-24(21,22)12-6-4-11(5-7-12)19-15(23)20-14-9-10(16)3-8-13(14)17/h3-9,18H,2H2,1H3,(H2,19,20,23)
InChIKeyBIOKGODDKNAYEQ-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.10
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea

1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea (PubChem CID 19680524) has the molecular formula C15H15Cl2N3O2S2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea
PubChem CID19680524
Molecular FormulaC15H15Cl2N3O2S2
Molecular Weight404.34 g/mol
Exact Mass403.00
IUPAC Name1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O2S2/c1-2-18-24(21,22)12-6-4-11(5-7-12)19-15(23)20-14-9-10(16)3-8-13(14)17/h3-9,18H,2H2,1H3,(H2,19,20,23)
InChIKeyBIOKGODDKNAYEQ-UHFFFAOYSA-N
XLogP4.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea 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

1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2,5-dichlorophenyl)thiourea
CID 19679104
1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 17263553
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
CID 19680553
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
1-[4-[(2,5-dichlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea
CID 175587617
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea (CID 19680524) is 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea is CCNS(=O)(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea?
The InChIKey is BIOKGODDKNAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S2/c1-2-18-24(21,22)12-6-4-11(5-7-12)19-15(23)20-14-9-10(16)3-8-13(14)17/h3-9,18H,2H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea?
1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea has a molecular weight of 404.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 19680524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).