5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one

C23H17ClF3NO6S — CID 151156173

IUPAC5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
InChIInChI=1S/C23H17ClF3NO6S/c1-32-14-8-10-20(19(12-14)34-23(25,26)27)35(30,31)28-17-9-7-13(24)11-16(17)21(22(28)29)15-5-3-4-6-18(15)33-2/h3-12,21H,1-2H3
InChIKeyMZHCKLPDXYJXJC-UHFFFAOYSA-N
MW527.90 g/mol
LogP5.12
Rot. Bonds6

About 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one

5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one (PubChem CID 151156173) has the molecular formula C23H17ClF3NO6S and a molecular weight of 527.90 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one
PubChem CID151156173
Molecular FormulaC23H17ClF3NO6S
Molecular Weight527.90 g/mol
Exact Mass527.04
IUPAC Name5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
InChIInChI=1S/C23H17ClF3NO6S/c1-32-14-8-10-20(19(12-14)34-23(25,26)27)35(30,31)28-17-9-7-13(24)11-16(17)21(22(28)29)15-5-3-4-6-18(15)33-2/h3-12,21H,1-2H3
InChIKeyMZHCKLPDXYJXJC-UHFFFAOYSA-N
XLogP5.12
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.90
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]oxypropanoic acid
CID 67430502
2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylacetamide
CID 59867898
(2R)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide
CID 59867803
(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylpropanamide
CID 59867781
(2S)-2-[[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]amino]-N,N-dimethylbutanamide
CID 11950368
(2S,4R)-1-[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-fluoro-N,1-dimethylpyrrolidin-1-ium-2-carboxamide
CID 87396770
[5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxo-4-phenylindol-3-yl] carbamate
CID 67430056
(2S,4R)-1-[5-chloro-3-(2,6-dimethoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,1-dimethylpyrrolidin-1-ium-2-carboxamide
CID 87396659
(2S,4R)-1-[5-chloro-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867805
(2S,4R)-1-[5-chloro-3-(5-chloro-2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,1-dimethylpyrrolidin-1-ium-2-carboxamide
CID 87396834
(2S,4R)-1-[5-chloro-3-(5-chloro-2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867878
2-[(3S,5R)-7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-(trifluoromethoxy)phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid
CID 68920556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one (CID 151156173) is 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one is COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one?
The InChIKey is MZHCKLPDXYJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3NO6S/c1-32-14-8-10-20(19(12-14)34-23(25,26)27)35(30,31)28-17-9-7-13(24)11-16(17)21(22(28)29)15-5-3-4-6-18(15)33-2/h3-12,21H,1-2H3.
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one?
5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one has a molecular weight of 527.90 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one is sourced from PubChem (CID 151156173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).