3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one

C16H11ClN2OS — CID 43687791

IUPAC3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc2sccc2c1
InChIInChI=1S/C16H11ClN2OS/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-8,15,18H,(H,19,20)
InChIKeyFBRBFQOPLXEZJI-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.66
Rot. Bonds2

About 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one

3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 43687791) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
PubChem CID43687791
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc2sccc2c1
InChIInChI=1S/C16H11ClN2OS/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-8,15,18H,(H,19,20)
InChIKeyFBRBFQOPLXEZJI-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43716228
5-chloro-3-(1H-pyrazol-4-ylamino)-1,3-dihydroindol-2-one
CID 43539934
5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
CID 43732708
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43126586
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
CID 43095076
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43206055
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43098558

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one (CID 43687791) is 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1Nc1ccc2sccc2c1.
What is the InChIKey of 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is FBRBFQOPLXEZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-8,15,18H,(H,19,20).
What are the key properties of 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one?
3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 314.80 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43687791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).