(3-amino-4-chlorophenyl)-thiophen-2-ylmethanone

C11H8ClNOS — CID 759286

IUPAC(3-amino-4-chlorophenyl)-thiophen-2-ylmethanone
SMILESNc1cc(C(=O)c2cccs2)ccc1Cl
InChIInChI=1S/C11H8ClNOS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,13H2
InChIKeyGKLHXCZXFRMKTD-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.21
Rot. Bonds2

About (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone

(3-amino-4-chlorophenyl)-thiophen-2-ylmethanone (PubChem CID 759286) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-thiophen-2-ylmethanone
PubChem CID759286
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(3-amino-4-chlorophenyl)-thiophen-2-ylmethanone
SMILESNc1cc(C(=O)c2cccs2)ccc1Cl
InChIInChI=1S/C11H8ClNOS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,13H2
InChIKeyGKLHXCZXFRMKTD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone (CID 759286) is (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone is Nc1cc(C(=O)c2cccs2)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone?
The InChIKey is GKLHXCZXFRMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,13H2.
What are the key properties of (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone?
(3-amino-4-chlorophenyl)-thiophen-2-ylmethanone 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 (3-amino-4-chlorophenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 759286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).