4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline

C20H25N3O2S — CID 23872164

IUPAC4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline
SMILESCCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C20H25N3O2S/c1-3-22(4-2)14-13-16-15-23(20-8-6-5-7-19(16)20)26(24,25)18-11-9-17(21)10-12-18/h5-12,15H,3-4,13-14,21H2,1-2H3
InChIKeyVSLGRSUBCKRTAC-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.34
Rot. Bonds7

About 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline

4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline (PubChem CID 23872164) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline.

Molecular Properties

Compound Name4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline
PubChem CID23872164
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline
SMILESCCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C20H25N3O2S/c1-3-22(4-2)14-13-16-15-23(20-8-6-5-7-19(16)20)26(24,25)18-11-9-17(21)10-12-18/h5-12,15H,3-4,13-14,21H2,1-2H3
InChIKeyVSLGRSUBCKRTAC-UHFFFAOYSA-N
XLogP3.34
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline?
The IUPAC name of 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline (CID 23872164) is 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline.
What is the SMILES notation for 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline?
The canonical SMILES for 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline is CCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline?
The InChIKey is VSLGRSUBCKRTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-22(4-2)14-13-16-15-23(20-8-6-5-7-19(16)20)26(24,25)18-11-9-17(21)10-12-18/h5-12,15H,3-4,13-14,21H2,1-2H3.
What are the key properties of 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline?
4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline has a molecular weight of 371.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(diethylamino)ethyl]indol-1-yl]sulfonylaniline is sourced from PubChem (CID 23872164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).