(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone

C11H8ClNOS — CID 22152229

IUPAC(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C11H8ClNOS/c12-8-4-2-1-3-7(8)11(14)9-5-6-10(13)15-9/h1-6H,13H2
InChIKeyQOKXMMDFOZZHNW-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.21
Rot. Bonds2

About (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone

(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone (PubChem CID 22152229) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone
PubChem CID22152229
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C11H8ClNOS/c12-8-4-2-1-3-7(8)11(14)9-5-6-10(13)15-9/h1-6H,13H2
InChIKeyQOKXMMDFOZZHNW-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone (CID 22152229) is (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone is Nc1ccc(C(=O)c2ccccc2Cl)s1.
What is the InChIKey of (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone?
The InChIKey is QOKXMMDFOZZHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-8-4-2-1-3-7(8)11(14)9-5-6-10(13)15-9/h1-6H,13H2.
What are the key properties of (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone?
(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone has a molecular weight of 237.71 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothiophen-2-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 22152229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).