N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide

C26H29N3O2S — CID 10182228

IUPACN-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C26H29N3O2S/c1-3-29(4-2)17-16-22-19-27-26-15-12-23(18-25(22)26)28-32(30,31)24-13-10-21(11-14-24)20-8-6-5-7-9-20/h5-15,18-19,27-28H,3-4,16-17H2,1-2H3
InChIKeyUIRIEFKMLBIEPD-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.52
Rot. Bonds9

About N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide

N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide (PubChem CID 10182228) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide
PubChem CID10182228
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C26H29N3O2S/c1-3-29(4-2)17-16-22-19-27-26-15-12-23(18-25(22)26)28-32(30,31)24-13-10-21(11-14-24)20-8-6-5-7-9-20/h5-15,18-19,27-28H,3-4,16-17H2,1-2H3
InChIKeyUIRIEFKMLBIEPD-UHFFFAOYSA-N
XLogP5.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide (CID 10182228) is N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide is CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The InChIKey is UIRIEFKMLBIEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-3-29(4-2)17-16-22-19-27-26-15-12-23(18-25(22)26)28-32(30,31)24-13-10-21(11-14-24)20-8-6-5-7-9-20/h5-15,18-19,27-28H,3-4,16-17H2,1-2H3.
What are the key properties of N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide has a molecular weight of 447.60 g/mol, XLogP of 5.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 10182228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).