5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one

C14H10Cl3NOS — CID 107964509

IUPAC5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3cc(Cl)sc3Cl)ccc21
InChIInChI=1S/C14H10Cl3NOS/c1-18-10-3-2-7(4-8(10)5-12(18)19)13(16)9-6-11(15)20-14(9)17/h2-4,6,13H,5H2,1H3
InChIKeyNPJPXILWJLDGEQ-UHFFFAOYSA-N
MW346.67 g/mol
LogP4.90
Rot. Bonds2

About 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one

5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 107964509) has the molecular formula C14H10Cl3NOS and a molecular weight of 346.67 g/mol. Its IUPAC name is 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID107964509
Molecular FormulaC14H10Cl3NOS
Molecular Weight346.67 g/mol
Exact Mass344.95
IUPAC Name5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3cc(Cl)sc3Cl)ccc21
InChIInChI=1S/C14H10Cl3NOS/c1-18-10-3-2-7(4-8(10)5-12(18)19)13(16)9-6-11(15)20-14(9)17/h2-4,6,13H,5H2,1H3
InChIKeyNPJPXILWJLDGEQ-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.67
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one (CID 107964509) is 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Cl)c3cc(Cl)sc3Cl)ccc21.
What is the InChIKey of 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is NPJPXILWJLDGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NOS/c1-18-10-3-2-7(4-8(10)5-12(18)19)13(16)9-6-11(15)20-14(9)17/h2-4,6,13H,5H2,1H3.
What are the key properties of 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 346.67 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 107964509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).