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

C17H16Cl3N3O4S — CID 11662688

IUPAC1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N3O4S/c18-10-2-1-3-12(14(10)20)22-17(25)23-13-7-6-11(19)16(15(13)24)28(26,27)21-8-9-4-5-9/h1-3,6-7,9,21,24H,4-5,8H2,(H2,22,23,25)
InChIKeyXYOJBTIUANAJMO-UHFFFAOYSA-N
MW464.76 g/mol
LogP4.68
Rot. Bonds6

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

1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 11662688) has the molecular formula C17H16Cl3N3O4S and a molecular weight of 464.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID11662688
Molecular FormulaC17H16Cl3N3O4S
Molecular Weight464.76 g/mol
Exact Mass462.99
IUPAC Name1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N3O4S/c18-10-2-1-3-12(14(10)20)22-17(25)23-13-7-6-11(19)16(15(13)24)28(26,27)21-8-9-4-5-9/h1-3,6-7,9,21,24H,4-5,8H2,(H2,22,23,25)
InChIKeyXYOJBTIUANAJMO-UHFFFAOYSA-N
XLogP4.68
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.76
LogP ≤ 54.68
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-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 18373567
1-[4-chloro-2-hydroxy-3-(pyridin-4-ylsulfamoyl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 142651434
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-[(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-[3-[[(1S,5S)-3-bicyclo[3.2.1]octanyl]sulfonyl]-4-chloro-2-hydroxyphenyl]-3-(2-chloro-3-fluorophenyl)urea
CID 50996950
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463
1-[4-chloro-2-hydroxy-3-(2-morpholin-2-ylethylsulfamoyl)phenyl]-3-(2-chlorophenyl)urea;hydrochloride
CID 69104530
1-(2-bromophenyl)-3-[4-chloro-2-hydroxy-3-(2-propan-2-yloxyethylsulfamoyl)phenyl]urea
CID 18373493
1-[4-chloro-2-hydroxy-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-(2-chlorophenyl)urea
CID 57264361

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea (CID 11662688) is 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is XYOJBTIUANAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O4S/c18-10-2-1-3-12(14(10)20)22-17(25)23-13-7-6-11(19)16(15(13)24)28(26,27)21-8-9-4-5-9/h1-3,6-7,9,21,24H,4-5,8H2,(H2,22,23,25).
What are the key properties of 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea?
1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 464.76 g/mol, XLogP of 4.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(cyclopropylmethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 11662688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).