1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea

C13H11BrClN3O4S — CID 70154985

IUPAC1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Br)c2)c1O
InChIInChI=1S/C13H11BrClN3O4S/c14-7-2-1-3-8(6-7)17-13(20)18-10-5-4-9(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)
InChIKeyWQEDVLYGVSEMLU-UHFFFAOYSA-N
MW420.67 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea

1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea (PubChem CID 70154985) has the molecular formula C13H11BrClN3O4S and a molecular weight of 420.67 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea
PubChem CID70154985
Molecular FormulaC13H11BrClN3O4S
Molecular Weight420.67 g/mol
Exact Mass418.93
IUPAC Name1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Br)c2)c1O
InChIInChI=1S/C13H11BrClN3O4S/c14-7-2-1-3-8(6-7)17-13(20)18-10-5-4-9(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)
InChIKeyWQEDVLYGVSEMLU-UHFFFAOYSA-N
XLogP3.10
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.67
LogP ≤ 53.10
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-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-[4-chloro-2-hydroxy-3-(pyridin-4-ylsulfamoyl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 142651434
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(4-bromo-2-carbamothioylphenyl)-3-(3-chlorophenyl)urea
CID 82693917
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea (CID 70154985) is 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea is NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Br)c2)c1O.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea?
The InChIKey is WQEDVLYGVSEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O4S/c14-7-2-1-3-8(6-7)17-13(20)18-10-5-4-9(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea?
1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea has a molecular weight of 420.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-chloro-2-hydroxy-3-sulfamoylphenyl)urea is sourced from PubChem (CID 70154985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).