2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid

C24H19ClN2O6S — CID 24962348

IUPAC2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1ccc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIInChI=1S/C24H19ClN2O6S/c1-33-21-9-6-18(25)14-22(21)34(31,32)27-11-10-16-4-5-17(13-20(16)27)24(30)26-19-7-2-15(3-8-19)12-23(28)29/h2-11,13-14H,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyKKJVVJPCCIQDRK-UHFFFAOYSA-N
MW498.94 g/mol
LogP4.42
Rot. Bonds7

About 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid

2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid (PubChem CID 24962348) has the molecular formula C24H19ClN2O6S and a molecular weight of 498.94 g/mol. Its IUPAC name is 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid
PubChem CID24962348
Molecular FormulaC24H19ClN2O6S
Molecular Weight498.94 g/mol
Exact Mass498.07
IUPAC Name2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1ccc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIInChI=1S/C24H19ClN2O6S/c1-33-21-9-6-18(25)14-22(21)34(31,32)27-11-10-16-4-5-17(13-20(16)27)24(30)26-19-7-2-15(3-8-19)12-23(28)29/h2-11,13-14H,12H2,1H3,(H,26,30)(H,28,29)
InChIKeyKKJVVJPCCIQDRK-UHFFFAOYSA-N
XLogP4.42
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid (CID 24962348) is 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid is COc1ccc(Cl)cc1S(=O)(=O)n1ccc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21.
What is the InChIKey of 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
The InChIKey is KKJVVJPCCIQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O6S/c1-33-21-9-6-18(25)14-22(21)34(31,32)27-11-10-16-4-5-17(13-20(16)27)24(30)26-19-7-2-15(3-8-19)12-23(28)29/h2-11,13-14H,12H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid has a molecular weight of 498.94 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24962348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).