5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid

C24H19ClN2O6S — CID 42933242

IUPAC5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H19ClN2O6S/c25-21-7-3-1-5-17(21)20(19-12-26-22-8-4-2-6-18(19)22)13-27-34(32,33)16-10-14(23(28)29)9-15(11-16)24(30)31/h1-12,20,26-27H,13H2,(H,28,29)(H,30,31)
InChIKeyYSLVGYSBGNZMHR-UHFFFAOYSA-N
MW498.94 g/mol
LogP4.33
Rot. Bonds8

About 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid

5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid (PubChem CID 42933242) has the molecular formula C24H19ClN2O6S and a molecular weight of 498.94 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid
PubChem CID42933242
Molecular FormulaC24H19ClN2O6S
Molecular Weight498.94 g/mol
Exact Mass498.07
IUPAC Name5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H19ClN2O6S/c25-21-7-3-1-5-17(21)20(19-12-26-22-8-4-2-6-18(19)22)13-27-34(32,33)16-10-14(23(28)29)9-15(11-16)24(30)31/h1-12,20,26-27H,13H2,(H,28,29)(H,30,31)
InChIKeyYSLVGYSBGNZMHR-UHFFFAOYSA-N
XLogP4.33
TPSA136.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 42994894
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 134028769
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645145
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
(2S)-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-N-propan-2-ylpropanamide
CID 8645196
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid (CID 42933242) is 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid?
The InChIKey is YSLVGYSBGNZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O6S/c25-21-7-3-1-5-17(21)20(19-12-26-22-8-4-2-6-18(19)22)13-27-34(32,33)16-10-14(23(28)29)9-15(11-16)24(30)31/h1-12,20,26-27H,13H2,(H,28,29)(H,30,31).
What are the key properties of 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid?
5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid has a molecular weight of 498.94 g/mol, XLogP of 4.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 42933242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).