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

C13H13ClN2O4S — CID 15669330

IUPAC1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea
SMILESCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN2O4S/c1-2-11-7-8-12(20-11)21(18,19)16-13(17)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyCJEVBYMOJLNYIE-UHFFFAOYSA-N
MW328.78 g/mol
LogP3.01
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea (PubChem CID 15669330) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea
PubChem CID15669330
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea
SMILESCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN2O4S/c1-2-11-7-8-12(20-11)21(18,19)16-13(17)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyCJEVBYMOJLNYIE-UHFFFAOYSA-N
XLogP3.01
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53343755
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N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
ethane;5-ethylfuran-2-sulfonic acid
CID 159027282
N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
CID 69346648
N-[(4-chlorophenyl)carbamoyl]butanamide
CID 4102985
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
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1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
N-(4-chlorophenyl)-5-(5-ethyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175484

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea (CID 15669330) is 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea is CCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea?
The InChIKey is CJEVBYMOJLNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-2-11-7-8-12(20-11)21(18,19)16-13(17)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea?
1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea has a molecular weight of 328.78 g/mol, XLogP of 3.01, 4 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-ethylfuran-2-yl)sulfonylurea is sourced from PubChem (CID 15669330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).