1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea

C14H12Cl3N3O4S — CID 54015879

IUPAC1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea
SMILESCNS(=O)(=O)c1c(Cl)ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C14H12Cl3N3O4S/c1-19-25(23,24)13-8(16)5-6-10(12(13)21)20(14(18)22)9-4-2-3-7(15)11(9)17/h2-6,19,21H,1H3,(H2,18,22)
InChIKeyKVPDUSUKTXBAJY-UHFFFAOYSA-N
MW424.69 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea

1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea (PubChem CID 54015879) has the molecular formula C14H12Cl3N3O4S and a molecular weight of 424.69 g/mol. Its IUPAC name is 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea
PubChem CID54015879
Molecular FormulaC14H12Cl3N3O4S
Molecular Weight424.69 g/mol
Exact Mass422.96
IUPAC Name1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea
SMILESCNS(=O)(=O)c1c(Cl)ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C14H12Cl3N3O4S/c1-19-25(23,24)13-8(16)5-6-10(12(13)21)20(14(18)22)9-4-2-3-7(15)11(9)17/h2-6,19,21H,1H3,(H2,18,22)
InChIKeyKVPDUSUKTXBAJY-UHFFFAOYSA-N
XLogP3.48
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.69
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)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

sodium;1-[4-chloro-2-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-1-(2,3-dichlorophenyl)urea;hydride
CID 174432990
1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea
CID 154451516
2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447
2,6-dichloro-N,3-dimethylbenzenesulfonamide
CID 130157612
2-chloro-6-hydroxybenzenesulfonohydrazide
CID 54250889
1-[4-chloro-2-hydroxy-3-[(3S)-pyrrolidin-3-yl]sulfonylphenyl]-1-(2-chloro-3-pyridinyl)urea
CID 88541976
1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea
CID 88795205
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
1-[4-chloro-2-hydroxy-3-(pyridin-4-ylsulfamoyl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 142651434
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea
CID 87695533
1-[4-chloro-3-(cyclopentylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-dichlorophenyl)urea
CID 18373567

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea (CID 54015879) is 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea is CNS(=O)(=O)c1c(Cl)ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c1O.
What is the InChIKey of 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea?
The InChIKey is KVPDUSUKTXBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O4S/c1-19-25(23,24)13-8(16)5-6-10(12(13)21)20(14(18)22)9-4-2-3-7(15)11(9)17/h2-6,19,21H,1H3,(H2,18,22).
What are the key properties of 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea?
1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea has a molecular weight of 424.69 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 54015879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).