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

C13H11Cl2N3O3S — CID 10570487

IUPAC1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2N3O3S/c14-11-5-4-9(7-12(11)15)18-13(19)17-8-2-1-3-10(6-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyYCJWPPIOSGNRDI-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.28
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea (PubChem CID 10570487) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea
PubChem CID10570487
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2N3O3S/c14-11-5-4-9(7-12(11)15)18-13(19)17-8-2-1-3-10(6-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyYCJWPPIOSGNRDI-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea (CID 10570487) is 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea?
The InChIKey is YCJWPPIOSGNRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-11-5-4-9(7-12(11)15)18-13(19)17-8-2-1-3-10(6-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea?
1-(3,4-dichlorophenyl)-3-(3-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-(3,4-dichlorophenyl)-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 10570487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).