(2-aminothiophen-3-yl)-(4-chlorophenyl)methanone

C11H8ClNOS — CID 654924

IUPAC(2-aminothiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNOS/c12-8-3-1-7(2-4-8)10(14)9-5-6-15-11(9)13/h1-6H,13H2
InChIKeyHFLMHMGIVXQGIB-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.21
Rot. Bonds2

About (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone

(2-aminothiophen-3-yl)-(4-chlorophenyl)methanone (PubChem CID 654924) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-aminothiophen-3-yl)-(4-chlorophenyl)methanone
PubChem CID654924
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(2-aminothiophen-3-yl)-(4-chlorophenyl)methanone
SMILESNc1sccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNOS/c12-8-3-1-7(2-4-8)10(14)9-5-6-15-11(9)13/h1-6H,13H2
InChIKeyHFLMHMGIVXQGIB-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 (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone (CID 654924) is (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone is Nc1sccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is HFLMHMGIVXQGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-8-3-1-7(2-4-8)10(14)9-5-6-15-11(9)13/h1-6H,13H2.
What are the key properties of (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone?
(2-aminothiophen-3-yl)-(4-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 (2-aminothiophen-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 654924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).