(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone

C11H7Cl2NOS — CID 80641909

IUPAC(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2sccc2Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H,14H2
InChIKeyOLTMXXYDZBLSSH-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.87
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone

(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80641909) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80641909
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2sccc2Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H,14H2
InChIKeyOLTMXXYDZBLSSH-UHFFFAOYSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
CID 80529759
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913
4-amino-3-chloro-N-hydroxy-N-methylbenzamide
CID 131124028

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone (CID 80641909) is (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone is Nc1ccc(C(=O)c2sccc2Cl)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is OLTMXXYDZBLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H,14H2.
What are the key properties of (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 272.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80641909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).