1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea

C19H15F2N3O2S2 — CID 25237672

IUPAC1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
SMILESO=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F2N3O2S2/c20-13-6-11-18(17(21)12-13)23-19(27)22-14-7-9-16(10-8-14)28(25,26)24-15-4-2-1-3-5-15/h1-12,24H,(H2,22,23,27)
InChIKeyPSTMMXGDGVBGPU-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.57
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea

1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea (PubChem CID 25237672) has the molecular formula C19H15F2N3O2S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
PubChem CID25237672
Molecular FormulaC19H15F2N3O2S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
SMILESO=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F2N3O2S2/c20-13-6-11-18(17(21)12-13)23-19(27)22-14-7-9-16(10-8-14)28(25,26)24-15-4-2-1-3-5-15/h1-12,24H,(H2,22,23,27)
InChIKeyPSTMMXGDGVBGPU-UHFFFAOYSA-N
XLogP4.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)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-(3-fluorophenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678720
1-(4-bromophenyl)-3-(2,4-difluorophenyl)thiourea
CID 683119
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524
1-(2,5-difluorophenyl)-3-phenylthiourea
CID 17263148
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
1-(4-fluorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047618
1-(4-fluoro-2-nitrophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 19687409
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 1296910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea (CID 25237672) is 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea is O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea?
The InChIKey is PSTMMXGDGVBGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S2/c20-13-6-11-18(17(21)12-13)23-19(27)22-14-7-9-16(10-8-14)28(25,26)24-15-4-2-1-3-5-15/h1-12,24H,(H2,22,23,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea?
1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea has a molecular weight of 419.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 25237672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).