1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea

C19H18N4O4S3 — CID 2292578

IUPAC1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H18N4O4S3/c20-29(24,25)17-10-8-16(9-11-17)23-30(26,27)18-12-6-15(7-13-18)22-19(28)21-14-4-2-1-3-5-14/h1-13,23H,(H2,20,24,25)(H2,21,22,28)
InChIKeyWGCSVSJKBKYKJN-UHFFFAOYSA-N
MW462.58 g/mol
LogP2.94
Rot. Bonds6

About 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea

1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 2292578) has the molecular formula C19H18N4O4S3 and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea
PubChem CID2292578
Molecular FormulaC19H18N4O4S3
Molecular Weight462.58 g/mol
Exact Mass462.05
IUPAC Name1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H18N4O4S3/c20-29(24,25)17-10-8-16(9-11-17)23-30(26,27)18-12-6-15(7-13-18)22-19(28)21-14-4-2-1-3-5-14/h1-13,23H,(H2,20,24,25)(H2,21,22,28)
InChIKeyWGCSVSJKBKYKJN-UHFFFAOYSA-N
XLogP2.94
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea (CID 2292578) is 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is WGCSVSJKBKYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S3/c20-29(24,25)17-10-8-16(9-11-17)23-30(26,27)18-12-6-15(7-13-18)22-19(28)21-14-4-2-1-3-5-14/h1-13,23H,(H2,20,24,25)(H2,21,22,28).
What are the key properties of 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea?
1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 462.58 g/mol, XLogP of 2.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 2292578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).