2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid

C23H23ClN2O4S — CID 11612292

IUPAC2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CC4CCC3C4)c2)[nH]c2ccccc12
InChIInChI=1S/C23H23ClN2O4S/c24-18-8-7-15(23-17(12-22(27)28)16-3-1-2-4-19(16)25-23)11-21(18)31(29,30)26-20-10-13-5-6-14(20)9-13/h1-4,7-8,11,13-14,20,25-26H,5-6,9-10,12H2,(H,27,28)
InChIKeyUICZFBZASXWXNF-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.58
Rot. Bonds6

About 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid

2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid (PubChem CID 11612292) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid
PubChem CID11612292
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CC4CCC3C4)c2)[nH]c2ccccc12
InChIInChI=1S/C23H23ClN2O4S/c24-18-8-7-15(23-17(12-22(27)28)16-3-1-2-4-19(16)25-23)11-21(18)31(29,30)26-20-10-13-5-6-14(20)9-13/h1-4,7-8,11,13-14,20,25-26H,5-6,9-10,12H2,(H,27,28)
InChIKeyUICZFBZASXWXNF-UHFFFAOYSA-N
XLogP4.58
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid (CID 11612292) is 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CC4CCC3C4)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid?
The InChIKey is UICZFBZASXWXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c24-18-8-7-15(23-17(12-22(27)28)16-3-1-2-4-19(16)25-23)11-21(18)31(29,30)26-20-10-13-5-6-14(20)9-13/h1-4,7-8,11,13-14,20,25-26H,5-6,9-10,12H2,(H,27,28).
What are the key properties of 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid?
2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid has a molecular weight of 458.97 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 11612292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).