1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea

C13H10Cl2N2O3S — CID 744684

IUPAC1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
SMILESO=C(Nc1ccccc1Cl)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H10Cl2N2O3S/c14-9-5-1-3-7-11(9)16-13(18)17-21(19,20)12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
InChIKeyVROURPPJPITTSP-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea

1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea (PubChem CID 744684) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
PubChem CID744684
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
SMILESO=C(Nc1ccccc1Cl)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H10Cl2N2O3S/c14-9-5-1-3-7-11(9)16-13(18)17-21(19,20)12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
InChIKeyVROURPPJPITTSP-UHFFFAOYSA-N
XLogP3.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
CID 6610584
1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 138617489
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
CID 134116858
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
CID 134112880
1-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]-3-(2-chlorophenyl)sulfonylurea
CID 110192008
1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 1376682
1-[4-chloro-6-(2,4-dichlorophenoxy)pyrimidin-2-yl]-3-(2-chlorophenyl)sulfonylurea
CID 14724296
1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
CID 24819123
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea (CID 744684) is 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea is O=C(Nc1ccccc1Cl)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea?
The InChIKey is VROURPPJPITTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-9-5-1-3-7-11(9)16-13(18)17-21(19,20)12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18).
What are the key properties of 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea?
1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea has a molecular weight of 345.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea is sourced from PubChem (CID 744684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).