1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride

C19H23Cl3N4O5S — CID 69104530

IUPAC1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccccc1Cl)Nc1ccc(Cl)c(S(=O)(=O)NCCC2CNCCO2)c1O
InChIInChI=1S/C19H22Cl2N4O5S.ClH/c20-13-3-1-2-4-15(13)24-19(27)25-16-6-5-14(21)18(17(16)26)31(28,29)23-8-7-12-11-22-9-10-30-12;/h1-6,12,22-23,26H,7-11H2,(H2,24,25,27);1H
InChIKeyFBHMBWKLIXUURH-UHFFFAOYSA-N
MW525.84 g/mol
LogP3.42
Rot. Bonds7

About 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride

1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride (PubChem CID 69104530) has the molecular formula C19H23Cl3N4O5S and a molecular weight of 525.84 g/mol. Its IUPAC name is 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride
PubChem CID69104530
Molecular FormulaC19H23Cl3N4O5S
Molecular Weight525.84 g/mol
Exact Mass524.05
IUPAC Name1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccccc1Cl)Nc1ccc(Cl)c(S(=O)(=O)NCCC2CNCCO2)c1O
InChIInChI=1S/C19H22Cl2N4O5S.ClH/c20-13-3-1-2-4-15(13)24-19(27)25-16-6-5-14(21)18(17(16)26)31(28,29)23-8-7-12-11-22-9-10-30-12;/h1-6,12,22-23,26H,7-11H2,(H2,24,25,27);1H
InChIKeyFBHMBWKLIXUURH-UHFFFAOYSA-N
XLogP3.42
TPSA128.79 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.84
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67241922
1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 11662688
1-(4-chloro-2-hydroxy-3-piperidin-4-ylsulfonylphenyl)-3-(2-ethylphenyl)urea
CID 50996596
1-[3-(3-aminopropylsulfamoyl)-4-chloro-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea;2,2,2-trifluoroacetic acid
CID 11613999
1-[4-chloro-2-hydroxy-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-(2-chlorophenyl)urea
CID 57264361
1-(2-bromophenyl)-3-[4-chloro-2-hydroxy-3-(2-propan-2-yloxyethylsulfamoyl)phenyl]urea
CID 18373493
N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 18373567
1-(2-chlorophenyl)-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56885160
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride?
The IUPAC name of 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride (CID 69104530) is 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride.
What is the SMILES notation for 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride?
The canonical SMILES for 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride is Cl.O=C(Nc1ccccc1Cl)Nc1ccc(Cl)c(S(=O)(=O)NCCC2CNCCO2)c1O.
What is the InChIKey of 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride?
The InChIKey is FBHMBWKLIXUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O5S.ClH/c20-13-3-1-2-4-15(13)24-19(27)25-16-6-5-14(21)18(17(16)26)31(28,29)23-8-7-12-11-22-9-10-30-12;/h1-6,12,22-23,26H,7-11H2,(H2,24,25,27);1H.
What are the key properties of 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride?
1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride has a molecular weight of 525.84 g/mol, XLogP of 3.42, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride is sourced from PubChem (CID 69104530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).