2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid

C23H17ClN2O5S — CID 24962351

IUPAC2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C23H17ClN2O5S/c24-18-2-1-3-20(14-18)32(30,31)26-11-10-16-6-7-17(13-21(16)26)23(29)25-19-8-4-15(5-9-19)12-22(27)28/h1-11,13-14H,12H2,(H,25,29)(H,27,28)
InChIKeyXSEKCDWDKMRBBZ-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.41
Rot. Bonds6

About 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid

2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid (PubChem CID 24962351) has the molecular formula C23H17ClN2O5S and a molecular weight of 468.92 g/mol. Its IUPAC name is 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid
PubChem CID24962351
Molecular FormulaC23H17ClN2O5S
Molecular Weight468.92 g/mol
Exact Mass468.05
IUPAC Name2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3c2)cc1
InChIInChI=1S/C23H17ClN2O5S/c24-18-2-1-3-20(14-18)32(30,31)26-11-10-16-6-7-17(13-21(16)26)23(29)25-19-8-4-15(5-9-19)12-22(27)28/h1-11,13-14H,12H2,(H,25,29)(H,27,28)
InChIKeyXSEKCDWDKMRBBZ-UHFFFAOYSA-N
XLogP4.41
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid (CID 24962351) is 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2ccc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3c2)cc1.
What is the InChIKey of 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
The InChIKey is XSEKCDWDKMRBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O5S/c24-18-2-1-3-20(14-18)32(30,31)26-11-10-16-6-7-17(13-21(16)26)23(29)25-19-8-4-15(5-9-19)12-22(27)28/h1-11,13-14H,12H2,(H,25,29)(H,27,28).
What are the key properties of 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid?
2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid has a molecular weight of 468.92 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-chlorophenyl)sulfonylindole-6-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24962351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).