1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea

C22H19Cl3FN3O3S — CID 42657265

IUPAC1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(CCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H19Cl3FN3O3S/c23-15-2-9-19(10-3-15)33(31,32)27-12-1-13-29(18-7-4-16(26)5-8-18)22(30)28-17-6-11-20(24)21(25)14-17/h2-11,14,27H,1,12-13H2,(H,28,30)
InChIKeyUJIIYHVBVFNGLS-UHFFFAOYSA-N
MW530.84 g/mol
LogP6.19
Rot. Bonds8

About 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea

1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea (PubChem CID 42657265) has the molecular formula C22H19Cl3FN3O3S and a molecular weight of 530.84 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
PubChem CID42657265
Molecular FormulaC22H19Cl3FN3O3S
Molecular Weight530.84 g/mol
Exact Mass529.02
IUPAC Name1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(CCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H19Cl3FN3O3S/c23-15-2-9-19(10-3-15)33(31,32)27-12-1-13-29(18-7-4-16(26)5-8-18)22(30)28-17-6-11-20(24)21(25)14-17/h2-11,14,27H,1,12-13H2,(H,28,30)
InChIKeyUJIIYHVBVFNGLS-UHFFFAOYSA-N
XLogP6.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.84
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)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-(3,4-dichlorophenyl)-1-[3-[(4-fluorophenyl)sulfonylamino]propyl]-1-phenylurea
CID 42705928
3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea
CID 42705425
1-[3-[(4-chloro-3-nitrophenyl)sulfonylamino]propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea
CID 42657227
1-[3-(butylcarbamoylamino)propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42704685
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
3-(3,4-dichlorophenyl)-1-[3-[(3-fluorophenyl)carbamoylamino]propyl]-1-phenylurea
CID 42705924
1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1-(4-phenoxyphenyl)urea
CID 42657933
2-chloro-N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]benzamide
CID 42702736
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 42726216
3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42657196

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea (CID 42657265) is 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)N(CCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea?
The InChIKey is UJIIYHVBVFNGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3FN3O3S/c23-15-2-9-19(10-3-15)33(31,32)27-12-1-13-29(18-7-4-16(26)5-8-18)22(30)28-17-6-11-20(24)21(25)14-17/h2-11,14,27H,1,12-13H2,(H,28,30).
What are the key properties of 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea?
1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea has a molecular weight of 530.84 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea is sourced from PubChem (CID 42657265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).