1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea

C18H19Cl2N3O3S — CID 5069805

IUPAC1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O3S/c19-13-7-8-17(16(20)11-13)22-18(24)21-14-5-4-6-15(12-14)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H2,21,22,24)
InChIKeyATKZLSXQEJTMEY-UHFFFAOYSA-N
MW428.34 g/mol
LogP4.81
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea

1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 5069805) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea
PubChem CID5069805
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC Name1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O3S/c19-13-7-8-17(16(20)11-13)22-18(24)21-14-5-4-6-15(12-14)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H2,21,22,24)
InChIKeyATKZLSXQEJTMEY-UHFFFAOYSA-N
XLogP4.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-(3-sulfamoylphenyl)urea
CID 4157467
4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
CID 1485493
1-(2,4-Dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4832009
1-[4-Chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea
CID 5128497
4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 24650532
1-(2,4-Dichloro-5-sulfamoylphenyl)-3-(4-sulfamoylphenyl)urea
CID 90644479
1-Benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea
CID 90644480
1-(2,4-Dichloro-5-sulfamoylphenyl)-3-phenylurea
CID 90644503
1-(4-Chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea
CID 90644504
4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187425
4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187426
1-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137641290

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea (CID 5069805) is 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is ATKZLSXQEJTMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c19-13-7-8-17(16(20)11-13)22-18(24)21-14-5-4-6-15(12-14)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H2,21,22,24).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea?
1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 428.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 5069805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).