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

C24H25N3O2S — CID 10112810

IUPACN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C24H25N3O2S/c1-27(2)15-14-20-17-25-24-13-10-21(16-23(20)24)26-30(28,29)22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-13,16-17,25-26H,14-15H2,1-2H3
InChIKeySNTNUEYGURUYLJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.74
Rot. Bonds7

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

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide (PubChem CID 10112810) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide
PubChem CID10112810
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C24H25N3O2S/c1-27(2)15-14-20-17-25-24-13-10-21(16-23(20)24)26-30(28,29)22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-13,16-17,25-26H,14-15H2,1-2H3
InChIKeySNTNUEYGURUYLJ-UHFFFAOYSA-N
XLogP4.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide (CID 10112810) is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The InChIKey is SNTNUEYGURUYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-27(2)15-14-20-17-25-24-13-10-21(16-23(20)24)26-30(28,29)22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-13,16-17,25-26H,14-15H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 10112810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).