1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea

C11H8Cl2N2O3S2 — CID 15669318

IUPAC1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H8Cl2N2O3S2/c12-7-1-3-8(4-2-7)14-11(16)15-20(17,18)10-6-5-9(13)19-10/h1-6H,(H2,14,15,16)
InChIKeyOOPNEZAERDSZEP-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.57
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea

1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 15669318) has the molecular formula C11H8Cl2N2O3S2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea
PubChem CID15669318
Molecular FormulaC11H8Cl2N2O3S2
Molecular Weight351.24 g/mol
Exact Mass349.94
IUPAC Name1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H8Cl2N2O3S2/c12-7-1-3-8(4-2-7)14-11(16)15-20(17,18)10-6-5-9(13)19-10/h1-6H,(H2,14,15,16)
InChIKeyOOPNEZAERDSZEP-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 15669318) is 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea is O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea?
The InChIKey is OOPNEZAERDSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S2/c12-7-1-3-8(4-2-7)14-11(16)15-20(17,18)10-6-5-9(13)19-10/h1-6H,(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea?
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 351.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 15669318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).