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

C18H17N3O2S — CID 3790571

IUPAC4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O2S/c1-13(10-15-12-20-18-5-3-2-4-17(15)18)21-24(22,23)16-8-6-14(11-19)7-9-16/h2-9,12-13,20-21H,10H2,1H3
InChIKeyACPUQEDCGFRGRB-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.95
Rot. Bonds5

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

4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 3790571) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID3790571
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O2S/c1-13(10-15-12-20-18-5-3-2-4-17(15)18)21-24(22,23)16-8-6-14(11-19)7-9-16/h2-9,12-13,20-21H,10H2,1H3
InChIKeyACPUQEDCGFRGRB-UHFFFAOYSA-N
XLogP2.95
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 3790571) is 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is ACPUQEDCGFRGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13(10-15-12-20-18-5-3-2-4-17(15)18)21-24(22,23)16-8-6-14(11-19)7-9-16/h2-9,12-13,20-21H,10H2,1H3.
What are the key properties of 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3790571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).