3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea

C23H19Cl3F3N3O3S — CID 42657196

IUPAC3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19Cl3F3N3O3S/c24-16-5-2-6-18(13-16)31-22(33)32(19-7-1-4-15(12-19)23(27,28)29)11-3-10-30-36(34,35)21-14-17(25)8-9-20(21)26/h1-2,4-9,12-14,30H,3,10-11H2,(H,31,33)
InChIKeyCKUSQPLMUQOFOU-UHFFFAOYSA-N
MW580.84 g/mol
LogP7.07
Rot. Bonds8

About 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea

3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea (PubChem CID 42657196) has the molecular formula C23H19Cl3F3N3O3S and a molecular weight of 580.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
PubChem CID42657196
Molecular FormulaC23H19Cl3F3N3O3S
Molecular Weight580.84 g/mol
Exact Mass579.02
IUPAC Name3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19Cl3F3N3O3S/c24-16-5-2-6-18(13-16)31-22(33)32(19-7-1-4-15(12-19)23(27,28)29)11-3-10-30-36(34,35)21-14-17(25)8-9-20(21)26/h1-2,4-9,12-14,30H,3,10-11H2,(H,31,33)
InChIKeyCKUSQPLMUQOFOU-UHFFFAOYSA-N
XLogP7.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.84
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea 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

3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide
CID 42701910
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529
2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 5000585
3-(4-chlorophenyl)-1-[3-[(4-methoxyphenyl)carbamoylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42702313
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42657265
3-(3,4-dichlorophenyl)-1-[3-[(4-fluorophenyl)sulfonylamino]propyl]-1-phenylurea
CID 42705928
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
CID 4235291
3-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42705762
3-(3-methylphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 3505137

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea (CID 42657196) is 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(Cl)c1)N(CCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is CKUSQPLMUQOFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3F3N3O3S/c24-16-5-2-6-18(13-16)31-22(33)32(19-7-1-4-15(12-19)23(27,28)29)11-3-10-30-36(34,35)21-14-17(25)8-9-20(21)26/h1-2,4-9,12-14,30H,3,10-11H2,(H,31,33).
What are the key properties of 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea?
3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 580.84 g/mol, XLogP of 7.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42657196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).