N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide

C23H22N2O2S — CID 3832779

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17(15-20-16-24-23-10-6-5-9-22(20)23)25-28(26,27)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,16-17,24-25H,15H2,1H3
InChIKeyDWEAPADYEUHUCQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.74
Rot. Bonds6

About N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide

N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide (PubChem CID 3832779) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide
PubChem CID3832779
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17(15-20-16-24-23-10-6-5-9-22(20)23)25-28(26,27)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,16-17,24-25H,15H2,1H3
InChIKeyDWEAPADYEUHUCQ-UHFFFAOYSA-N
XLogP4.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide (CID 3832779) is N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide?
The InChIKey is DWEAPADYEUHUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17(15-20-16-24-23-10-6-5-9-22(20)23)25-28(26,27)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,16-17,24-25H,15H2,1H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3832779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).