3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide

C24H22N2O3S — CID 42994894

IUPAC3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H22N2O3S/c1-17(27)19-10-7-11-20(14-19)30(28,29)26-16-22(18-8-3-2-4-9-18)23-15-25-24-13-6-5-12-21(23)24/h2-15,22,25-26H,16H2,1H3
InChIKeyNFMYLQDFVOIHAW-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.48
Rot. Bonds7

About 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide

3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 42994894) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID42994894
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H22N2O3S/c1-17(27)19-10-7-11-20(14-19)30(28,29)26-16-22(18-8-3-2-4-9-18)23-15-25-24-13-6-5-12-21(23)24/h2-15,22,25-26H,16H2,1H3
InChIKeyNFMYLQDFVOIHAW-UHFFFAOYSA-N
XLogP4.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide (CID 42994894) is 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is NFMYLQDFVOIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-17(27)19-10-7-11-20(14-19)30(28,29)26-16-22(18-8-3-2-4-9-18)23-15-25-24-13-6-5-12-21(23)24/h2-15,22,25-26H,16H2,1H3.
What are the key properties of 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide?
3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 42994894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).