2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one

C22H15Cl2NO4S2 — CID 159938515

IUPAC2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
SMILESCc1ccc2c(c1)N=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O
InChIInChI=1S/C22H15Cl2NO4S2/c1-12-2-4-16-18(8-12)25-21(22(16)27)15-5-3-13(10-17(15)23)9-14(26)11-31(28,29)20-7-6-19(24)30-20/h2-8,10H,9,11H2,1H3
InChIKeySNQMHBWPOMLXBH-UHFFFAOYSA-N
MW492.41 g/mol
LogP5.27
Rot. Bonds6

About 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one

2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one (PubChem CID 159938515) has the molecular formula C22H15Cl2NO4S2 and a molecular weight of 492.41 g/mol. Its IUPAC name is 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one.

Molecular Properties

Compound Name2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
PubChem CID159938515
Molecular FormulaC22H15Cl2NO4S2
Molecular Weight492.41 g/mol
Exact Mass490.98
IUPAC Name2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
SMILESCc1ccc2c(c1)N=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O
InChIInChI=1S/C22H15Cl2NO4S2/c1-12-2-4-16-18(8-12)25-21(22(16)27)15-5-3-13(10-17(15)23)9-14(26)11-31(28,29)20-7-6-19(24)30-20/h2-8,10H,9,11H2,1H3
InChIKeySNQMHBWPOMLXBH-UHFFFAOYSA-N
XLogP5.27
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-phenylisoquinolin-1-one
CID 159546243
7-chloro-2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione
CID 159676723
7-chloro-2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione
CID 159259073
8-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-3-methyl-1,1-dioxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazine-7,9-dione
CID 159259075
2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1-hydroxy-6-methylindol-1-ium-3-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methylchromen-4-one;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-methyl-1H-cinnolin-4-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-5-methylinden-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one
CID 158530610
6-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one
CID 159930568
2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
CID 159078403
3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-quinazoline-2,4-dione
CID 157416668
6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one
CID 157463577
3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(cyclopropylamino)-2-methylquinazolin-4-one;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,6-dimethylquinazolin-4-one);bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,7-dimethylquinazolin-4-one);sulfur dioxide
CID 160887086
6-bromo-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-7-(methylamino)quinazolin-4-one
CID 157382634
6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-1H-quinazoline-2,4-dione
CID 158113991

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
The IUPAC name of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one (CID 159938515) is 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one.
What is the SMILES notation for 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
The canonical SMILES for 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one is Cc1ccc2c(c1)N=C(c1ccc(CC(=O)CS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O.
What is the InChIKey of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
The InChIKey is SNQMHBWPOMLXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO4S2/c1-12-2-4-16-18(8-12)25-21(22(16)27)15-5-3-13(10-17(15)23)9-14(26)11-31(28,29)20-7-6-19(24)30-20/h2-8,10H,9,11H2,1H3.
What are the key properties of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one?
2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one has a molecular weight of 492.41 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methylindol-3-one is sourced from PubChem (CID 159938515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).