1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea

C13H10Cl2N2O3S — CID 12536358

IUPAC1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKeyAYBSOLKPMFRKCR-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.50
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea

1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea (PubChem CID 12536358) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea
PubChem CID12536358
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKeyAYBSOLKPMFRKCR-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea (CID 12536358) is 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea is O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea?
The InChIKey is AYBSOLKPMFRKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea?
1-(4-chlorophenyl)-3-(4-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-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylurea is sourced from PubChem (CID 12536358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).