(3-amino-5-chlorothiophen-2-yl)-phenylmethanone

C11H8ClNOS — CID 15557507

IUPAC(3-amino-5-chlorothiophen-2-yl)-phenylmethanone
SMILESNc1cc(Cl)sc1C(=O)c1ccccc1
InChIInChI=1S/C11H8ClNOS/c12-9-6-8(13)11(15-9)10(14)7-4-2-1-3-5-7/h1-6H,13H2
InChIKeyRXGXWVMYKRMYNL-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.21
Rot. Bonds2

About (3-amino-5-chlorothiophen-2-yl)-phenylmethanone

(3-amino-5-chlorothiophen-2-yl)-phenylmethanone (PubChem CID 15557507) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (3-amino-5-chlorothiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-5-chlorothiophen-2-yl)-phenylmethanone
PubChem CID15557507
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(3-amino-5-chlorothiophen-2-yl)-phenylmethanone
SMILESNc1cc(Cl)sc1C(=O)c1ccccc1
InChIInChI=1S/C11H8ClNOS/c12-9-6-8(13)11(15-9)10(14)7-4-2-1-3-5-7/h1-6H,13H2
InChIKeyRXGXWVMYKRMYNL-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 (3-amino-5-chlorothiophen-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-5-chlorothiophen-2-yl)-phenylmethanone (CID 15557507) is (3-amino-5-chlorothiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-5-chlorothiophen-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-5-chlorothiophen-2-yl)-phenylmethanone is Nc1cc(Cl)sc1C(=O)c1ccccc1.
What is the InChIKey of (3-amino-5-chlorothiophen-2-yl)-phenylmethanone?
The InChIKey is RXGXWVMYKRMYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-9-6-8(13)11(15-9)10(14)7-4-2-1-3-5-7/h1-6H,13H2.
What are the key properties of (3-amino-5-chlorothiophen-2-yl)-phenylmethanone?
(3-amino-5-chlorothiophen-2-yl)-phenylmethanone 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-5-chlorothiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 15557507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).