6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one

C13H9Cl2NO2S — CID 55050628

IUPAC6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc(Cl)s3)c(Cl)cc2N1
InChIInChI=1S/C13H9Cl2NO2S/c14-8-5-9-6(4-12(17)16-9)3-7(8)13(18)10-1-2-11(15)19-10/h1-3,5,13,18H,4H2,(H,16,17)
InChIKeyKSEBKAIPGNDDLH-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.63
Rot. Bonds2

About 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one

6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 55050628) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID55050628
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc(Cl)s3)c(Cl)cc2N1
InChIInChI=1S/C13H9Cl2NO2S/c14-8-5-9-6(4-12(17)16-9)3-7(8)13(18)10-1-2-11(15)19-10/h1-3,5,13,18H,4H2,(H,16,17)
InChIKeyKSEBKAIPGNDDLH-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 107955565
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
CID 104521145
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol
CID 62276704

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 55050628) is 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3ccc(Cl)s3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is KSEBKAIPGNDDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-8-5-9-6(4-12(17)16-9)3-7(8)13(18)10-1-2-11(15)19-10/h1-3,5,13,18H,4H2,(H,16,17).
What are the key properties of 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 314.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 55050628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).