[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

C19H17ClN2O5S — CID 41035639

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17ClN2O5S/c20-13-4-3-5-14(10-13)28(25,26)22-9-8-19(24)27-12-18(23)16-11-21-17-7-2-1-6-15(16)17/h1-7,10-11,21-22H,8-9,12H2
InChIKeyPLFJDHAWZZDXGK-UHFFFAOYSA-N
MW420.87 g/mol
LogP2.92
Rot. Bonds8

About [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 41035639) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID41035639
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17ClN2O5S/c20-13-4-3-5-14(10-13)28(25,26)22-9-8-19(24)27-12-18(23)16-11-21-17-7-2-1-6-15(16)17/h1-7,10-11,21-22H,8-9,12H2
InChIKeyPLFJDHAWZZDXGK-UHFFFAOYSA-N
XLogP2.92
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42980604
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 55468603
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(benzenesulfonamido)propanoate
CID 7909281
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2467735
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909009
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7414322

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate (CID 41035639) is [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is PLFJDHAWZZDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c20-13-4-3-5-14(10-13)28(25,26)22-9-8-19(24)27-12-18(23)16-11-21-17-7-2-1-6-15(16)17/h1-7,10-11,21-22H,8-9,12H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 420.87 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 41035639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).