4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide

C16H15BrN2O2S — CID 4621793

IUPAC4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2S/c17-14-5-7-15(8-6-14)22(20,21)18-10-12-19-11-9-13-3-1-2-4-16(13)19/h1-9,11,18H,10,12H2
InChIKeyLVMFDOFPKGSTSD-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.38
Rot. Bonds5

About 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide

4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide (PubChem CID 4621793) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide
PubChem CID4621793
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2S/c17-14-5-7-15(8-6-14)22(20,21)18-10-12-19-11-9-13-3-1-2-4-16(13)19/h1-9,11,18H,10,12H2
InChIKeyLVMFDOFPKGSTSD-UHFFFAOYSA-N
XLogP3.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide (CID 4621793) is 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCn1ccc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide?
The InChIKey is LVMFDOFPKGSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c17-14-5-7-15(8-6-14)22(20,21)18-10-12-19-11-9-13-3-1-2-4-16(13)19/h1-9,11,18H,10,12H2.
What are the key properties of 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide?
4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-indol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4621793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).