1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea

C13H11Cl2N3O3S — CID 56836512

IUPAC1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyJVTAGZMZWCGBKW-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea

1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 56836512) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID56836512
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyJVTAGZMZWCGBKW-UHFFFAOYSA-N
XLogP3.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
AI-204/31750036
CID 730672
1-(2-Chlorophenyl)-3-(3-chlorophenyl)urea
CID 238900
1-[2-Chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836514
1-(3-Chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 122179485
Urea, 1,3-bis(2,5-dichlorophenyl)-
CID 25778
N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660
1-(4-Chlorophenyl)-3-(3-sulfamoylphenyl)urea
CID 4157467
1-(3-Chlorophenyl)-3-(4-sulfamoylphenyl)urea
CID 307505
4-{[(4-Chloro-2-fluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 17250082
1-(3-Chloro-4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 27870091
1-(4-Chlorophenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 44447101

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea (CID 56836512) is 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is JVTAGZMZWCGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea?
1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 360.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 56836512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).