1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea

C15H15ClFN3O2S2 — CID 3398700

IUPAC1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea
SMILESCN(C)S(=O)(=O)c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C15H15ClFN3O2S2/c1-20(2)24(21,22)14-9-12(7-8-13(14)16)19-15(23)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H2,18,19,23)
InChIKeyXPFSNJGLDGCKGZ-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.54
Rot. Bonds4

About 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea

1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea (PubChem CID 3398700) has the molecular formula C15H15ClFN3O2S2 and a molecular weight of 387.89 g/mol. Its IUPAC name is 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea
PubChem CID3398700
Molecular FormulaC15H15ClFN3O2S2
Molecular Weight387.89 g/mol
Exact Mass387.03
IUPAC Name1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea
SMILESCN(C)S(=O)(=O)c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C15H15ClFN3O2S2/c1-20(2)24(21,22)14-9-12(7-8-13(14)16)19-15(23)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H2,18,19,23)
InChIKeyXPFSNJGLDGCKGZ-UHFFFAOYSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)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

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4666704
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383
1-(3-chloro-4-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methylphenyl]thiourea
CID 5217438
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea
CID 18557302
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 46611276
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
4-acetyl-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5033969
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea?
The IUPAC name of 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea (CID 3398700) is 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea.
What is the SMILES notation for 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea?
The canonical SMILES for 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea is CN(C)S(=O)(=O)c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea?
The InChIKey is XPFSNJGLDGCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S2/c1-20(2)24(21,22)14-9-12(7-8-13(14)16)19-15(23)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H2,18,19,23).
What are the key properties of 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea?
1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea has a molecular weight of 387.89 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea is sourced from PubChem (CID 3398700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).