5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

C16H15ClN2OS — CID 79212497

IUPAC5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESCSc1ccc(C(N)c2cc3c(cc2Cl)NC(=O)C3)cc1
InChIInChI=1S/C16H15ClN2OS/c1-21-11-4-2-9(3-5-11)16(18)12-6-10-7-15(20)19-14(10)8-13(12)17/h2-6,8,16H,7,18H2,1H3,(H,19,20)
InChIKeyMYADGBFDEPMMSM-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.60
Rot. Bonds3

About 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 79212497) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID79212497
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESCSc1ccc(C(N)c2cc3c(cc2Cl)NC(=O)C3)cc1
InChIInChI=1S/C16H15ClN2OS/c1-21-11-4-2-9(3-5-11)16(18)12-6-10-7-15(20)19-14(10)8-13(12)17/h2-6,8,16H,7,18H2,1H3,(H,19,20)
InChIKeyMYADGBFDEPMMSM-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457576
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43487569
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 79212497) is 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is CSc1ccc(C(N)c2cc3c(cc2Cl)NC(=O)C3)cc1.
What is the InChIKey of 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is MYADGBFDEPMMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-21-11-4-2-9(3-5-11)16(18)12-6-10-7-15(20)19-14(10)8-13(12)17/h2-6,8,16H,7,18H2,1H3,(H,19,20).
What are the key properties of 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 318.83 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 79212497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).