6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one

C13H12ClNO4S — CID 64911304

IUPAC6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCS(=O)(=O)C3)c(Cl)cc2N1
InChIInChI=1S/C13H12ClNO4S/c14-10-5-11-8(4-12(16)15-11)3-9(10)13(17)7-1-2-20(18,19)6-7/h3,5,7H,1-2,4,6H2,(H,15,16)
InChIKeyMGXZBQDPVOJPKJ-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.45
Rot. Bonds2

About 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one

6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 64911304) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one
PubChem CID64911304
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCS(=O)(=O)C3)c(Cl)cc2N1
InChIInChI=1S/C13H12ClNO4S/c14-10-5-11-8(4-12(16)15-11)3-9(10)13(17)7-1-2-20(18,19)6-7/h3,5,7H,1-2,4,6H2,(H,15,16)
InChIKeyMGXZBQDPVOJPKJ-UHFFFAOYSA-N
XLogP1.45
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43457466
(2-chloro-4,5-dimethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64913790
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 66395714
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
CID 43457418
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
5-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 64905806
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one (CID 64911304) is 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C3CCS(=O)(=O)C3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is MGXZBQDPVOJPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c14-10-5-11-8(4-12(16)15-11)3-9(10)13(17)7-1-2-20(18,19)6-7/h3,5,7H,1-2,4,6H2,(H,15,16).
What are the key properties of 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one?
6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 313.76 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1,1-dioxothiolane-3-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 64911304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).