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

C21H26N2O2S — CID 3816305

IUPAC4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-15(13-16-14-22-20-8-6-5-7-19(16)20)23-26(24,25)18-11-9-17(10-12-18)21(2,3)4/h5-12,14-15,22-23H,13H2,1-4H3
InChIKeyMSOXFKWHWFYDCY-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.37
Rot. Bonds5

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

4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 3816305) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID3816305
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-15(13-16-14-22-20-8-6-5-7-19(16)20)23-26(24,25)18-11-9-17(10-12-18)21(2,3)4/h5-12,14-15,22-23H,13H2,1-4H3
InChIKeyMSOXFKWHWFYDCY-UHFFFAOYSA-N
XLogP4.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 3816305) is 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is MSOXFKWHWFYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15(13-16-14-22-20-8-6-5-7-19(16)20)23-26(24,25)18-11-9-17(10-12-18)21(2,3)4/h5-12,14-15,22-23H,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3816305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).