1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea

C18H18Cl3N3O4S — CID 18373567

IUPAC1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl3N3O4S/c19-11-6-3-7-13(15(11)21)22-18(26)23-14-9-8-12(20)17(16(14)25)29(27,28)24-10-4-1-2-5-10/h3,6-10,24-25H,1-2,4-5H2,(H2,22,23,26)
InChIKeyHPEOFHIRFSXHEE-UHFFFAOYSA-N
MW478.79 g/mol
LogP5.22
Rot. Bonds5

About 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea

1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 18373567) has the molecular formula C18H18Cl3N3O4S and a molecular weight of 478.79 g/mol. Its IUPAC name is 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID18373567
Molecular FormulaC18H18Cl3N3O4S
Molecular Weight478.79 g/mol
Exact Mass477.01
IUPAC Name1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl3N3O4S/c19-11-6-3-7-13(15(11)21)22-18(26)23-14-9-8-12(20)17(16(14)25)29(27,28)24-10-4-1-2-5-10/h3,6-10,24-25H,1-2,4-5H2,(H2,22,23,26)
InChIKeyHPEOFHIRFSXHEE-UHFFFAOYSA-N
XLogP5.22
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 55.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 11662688
1-[4-chloro-2-hydroxy-3-(pyridin-4-ylsulfamoyl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 142651434
1-[4-chloro-2-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-3-(2,3-dichlorophenyl)urea
CID 11627659
1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
CID 159737263
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463
1-[3-(3-aminopropylsulfamoyl)-4-chloro-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea;2,2,2-trifluoroacetic acid
CID 11613999
1-[3-[[(1S,5S)-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-2-hydroxyphenyl]-3-(2-chloro-3-fluorophenyl)urea
CID 50996950
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
1-(4-chloro-3-cyclobutylsulfonyl-2-hydroxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 58180208
1-[4-chloro-2-hydroxy-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-(2-chlorophenyl)urea
CID 57264361
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
3-[(2,6-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042404

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea (CID 18373567) is 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is HPEOFHIRFSXHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3O4S/c19-11-6-3-7-13(15(11)21)22-18(26)23-14-9-8-12(20)17(16(14)25)29(27,28)24-10-4-1-2-5-10/h3,6-10,24-25H,1-2,4-5H2,(H2,22,23,26).
What are the key properties of 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 478.79 g/mol, XLogP of 5.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 18373567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).