[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate

C21H22ClN3O5S — CID 55704140

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-3-25(4-2)31(28,29)15-11-9-14(10-12-15)23-18(26)13-30-21(27)20-19(22)16-7-5-6-8-17(16)24-20/h5-12,24H,3-4,13H2,1-2H3,(H,23,26)
InChIKeySDLOJTPGRPHGIZ-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.65
Rot. Bonds8

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 55704140) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
PubChem CID55704140
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-3-25(4-2)31(28,29)15-11-9-14(10-12-15)23-18(26)13-30-21(27)20-19(22)16-7-5-6-8-17(16)24-20/h5-12,24H,3-4,13H2,1-2H3,(H,23,26)
InChIKeySDLOJTPGRPHGIZ-UHFFFAOYSA-N
XLogP3.65
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358570
[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459679
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703821
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704162
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 41091065
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459618
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
CID 2125015

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (CID 55704140) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is SDLOJTPGRPHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-3-25(4-2)31(28,29)15-11-9-14(10-12-15)23-18(26)13-30-21(27)20-19(22)16-7-5-6-8-17(16)24-20/h5-12,24H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 463.94 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 55704140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).