3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide

C20H23Cl2N3O2S — CID 10203612

IUPAC3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide
SMILESCCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C20H23Cl2N3O2S/c1-3-25(4-2)8-7-14-13-23-20-6-5-17(12-19(14)20)24-28(26,27)18-10-15(21)9-16(22)11-18/h5-6,9-13,23-24H,3-4,7-8H2,1-2H3
InChIKeyQBEDVKUOBOOQJR-UHFFFAOYSA-N
MW440.40 g/mol
LogP5.16
Rot. Bonds8

About 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide

3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide (PubChem CID 10203612) has the molecular formula C20H23Cl2N3O2S and a molecular weight of 440.40 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide
PubChem CID10203612
Molecular FormulaC20H23Cl2N3O2S
Molecular Weight440.40 g/mol
Exact Mass439.09
IUPAC Name3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide
SMILESCCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C20H23Cl2N3O2S/c1-3-25(4-2)8-7-14-13-23-20-6-5-17(12-19(14)20)24-28(26,27)18-10-15(21)9-16(22)11-18/h5-6,9-13,23-24H,3-4,7-8H2,1-2H3
InChIKeyQBEDVKUOBOOQJR-UHFFFAOYSA-N
XLogP5.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide (CID 10203612) is 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide is CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12.
What is the InChIKey of 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is QBEDVKUOBOOQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2S/c1-3-25(4-2)8-7-14-13-23-20-6-5-17(12-19(14)20)24-28(26,27)18-10-15(21)9-16(22)11-18/h5-6,9-13,23-24H,3-4,7-8H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide?
3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 440.40 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 10203612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).