[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate

C21H20ClN3O6S — CID 55703821

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20ClN3O6S/c22-19-16-3-1-2-4-17(16)24-20(19)21(27)31-13-18(26)23-14-5-7-15(8-6-14)32(28,29)25-9-11-30-12-10-25/h1-8,24H,9-13H2,(H,23,26)
InChIKeyLKFXAVBYRANYCH-UHFFFAOYSA-N
MW477.93 g/mol
LogP2.64
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 55703821) has the molecular formula C21H20ClN3O6S and a molecular weight of 477.93 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
PubChem CID55703821
Molecular FormulaC21H20ClN3O6S
Molecular Weight477.93 g/mol
Exact Mass477.08
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20ClN3O6S/c22-19-16-3-1-2-4-17(16)24-20(19)21(27)31-13-18(26)23-14-5-7-15(8-6-14)32(28,29)25-9-11-30-12-10-25/h1-8,24H,9-13H2,(H,23,26)
InChIKeyLKFXAVBYRANYCH-UHFFFAOYSA-N
XLogP2.64
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459679
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704140
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966286
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23734279
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (CID 55703821) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is O=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is LKFXAVBYRANYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O6S/c22-19-16-3-1-2-4-17(16)24-20(19)21(27)31-13-18(26)23-14-5-7-15(8-6-14)32(28,29)25-9-11-30-12-10-25/h1-8,24H,9-13H2,(H,23,26).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 477.93 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 55703821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).