5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

C10H10ClNOS — CID 134996583

IUPAC5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C)cc(Cl)cc21
InChIInChI=1S/C10H10ClNOS/c1-5-3-6(11)4-7-8(5)12-10(13)9(7)14-2/h3-4,9H,1-2H3,(H,12,13)
InChIKeyGGZHCSZBYDZGRB-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.00
Rot. Bonds1

About 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 134996583) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID134996583
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C)cc(Cl)cc21
InChIInChI=1S/C10H10ClNOS/c1-5-3-6(11)4-7-8(5)12-10(13)9(7)14-2/h3-4,9H,1-2H3,(H,12,13)
InChIKeyGGZHCSZBYDZGRB-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 134935807
(3S)-5-chloro-3-methylsulfanyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 98113477
7-(4-chlorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 12923549
5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235316
7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 44719100
8-chloro-3,6-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 84624728
(6aS,8R)-2-chloro-8-hydroxy-4-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 122560587
9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84640070
7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190653
6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84619437
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 22462444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 134996583) is 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(C)cc(Cl)cc21.
What is the InChIKey of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GGZHCSZBYDZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-5-3-6(11)4-7-8(5)12-10(13)9(7)14-2/h3-4,9H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 227.72 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134996583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).