1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea

C11H9ClN2O3S2 — CID 15669317

IUPAC1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H9ClN2O3S2/c12-8-3-5-9(6-4-8)13-11(15)14-19(16,17)10-2-1-7-18-10/h1-7H,(H2,13,14,15)
InChIKeyJADLWPVJGPSGCQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea

1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea (PubChem CID 15669317) has the molecular formula C11H9ClN2O3S2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea
PubChem CID15669317
Molecular FormulaC11H9ClN2O3S2
Molecular Weight316.79 g/mol
Exact Mass315.97
IUPAC Name1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H9ClN2O3S2/c12-8-3-5-9(6-4-8)13-11(15)14-19(16,17)10-2-1-7-18-10/h1-7H,(H2,13,14,15)
InChIKeyJADLWPVJGPSGCQ-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.91
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-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea (CID 15669317) is 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea is O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea?
The InChIKey is JADLWPVJGPSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S2/c12-8-3-5-9(6-4-8)13-11(15)14-19(16,17)10-2-1-7-18-10/h1-7H,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea?
1-(4-chlorophenyl)-3-thiophen-2-ylsulfonylurea has a molecular weight of 316.79 g/mol, XLogP of 2.91, 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-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 15669317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).