5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one

C14H12ClNO2S — CID 55050580

IUPAC5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C14H12ClNO2S/c1-16-10-3-2-8(6-9(10)7-13(16)17)14(18)11-4-5-12(15)19-11/h2-6,14,18H,7H2,1H3
InChIKeyPIRLNFKZBDRGQJ-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.00
Rot. Bonds2

About 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one

5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one (PubChem CID 55050580) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one
PubChem CID55050580
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C14H12ClNO2S/c1-16-10-3-2-8(6-9(10)7-13(16)17)14(18)11-4-5-12(15)19-11/h2-6,14,18H,7H2,1H3
InChIKeyPIRLNFKZBDRGQJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61087964
5-[(3-chloro-4-iodophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 103210148
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-[(4-ethylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086671
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 107964509
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61083787
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one
CID 79660633

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one (CID 55050580) is 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)c3ccc(Cl)s3)ccc21.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The InChIKey is PIRLNFKZBDRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-16-10-3-2-8(6-9(10)7-13(16)17)14(18)11-4-5-12(15)19-11/h2-6,14,18H,7H2,1H3.
What are the key properties of 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one has a molecular weight of 293.78 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 55050580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).