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

C20H24N2O2S — CID 24825380

IUPAC4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N2O2S/c1-2-3-6-16-9-11-18(12-10-16)25(23,24)22-14-13-17-15-21-20-8-5-4-7-19(17)20/h4-5,7-12,15,21-22H,2-3,6,13-14H2,1H3
InChIKeyZDWCCCTVMQMVQG-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.03
Rot. Bonds8

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

4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825380) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825380
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H24N2O2S/c1-2-3-6-16-9-11-18(12-10-16)25(23,24)22-14-13-17-15-21-20-8-5-4-7-19(17)20/h4-5,7-12,15,21-22H,2-3,6,13-14H2,1H3
InChIKeyZDWCCCTVMQMVQG-UHFFFAOYSA-N
XLogP4.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825380) is 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ZDWCCCTVMQMVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-3-6-16-9-11-18(12-10-16)25(23,24)22-14-13-17-15-21-20-8-5-4-7-19(17)20/h4-5,7-12,15,21-22H,2-3,6,13-14H2,1H3.
What are the key properties of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).