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

C20H24N2O2S — CID 5185174

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)16-8-10-18(11-9-16)25(23,24)22-15(3)12-17-13-21-20-7-5-4-6-19(17)20/h4-11,13-15,21-22H,12H2,1-3H3
InChIKeyDRUKCDBJSKTKTR-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.20
Rot. Bonds6

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

N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 5185174) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID5185174
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)16-8-10-18(11-9-16)25(23,24)22-15(3)12-17-13-21-20-7-5-4-6-19(17)20/h4-11,13-15,21-22H,12H2,1-3H3
InChIKeyDRUKCDBJSKTKTR-UHFFFAOYSA-N
XLogP4.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.20
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-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide (CID 5185174) is N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DRUKCDBJSKTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(2)16-8-10-18(11-9-16)25(23,24)22-15(3)12-17-13-21-20-7-5-4-6-19(17)20/h4-11,13-15,21-22H,12H2,1-3H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 4.20, 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 5185174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).