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

C16H15BrN2O2S — CID 3247488

IUPAC4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2S/c17-13-5-7-14(8-6-13)22(20,21)19-10-9-12-11-18-16-4-2-1-3-15(12)16/h1-8,11,18-19H,9-10H2
InChIKeyWATGZYOGSYUGGN-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.45
Rot. Bonds5

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

4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3247488) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID3247488
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2S/c17-13-5-7-14(8-6-13)22(20,21)19-10-9-12-11-18-16-4-2-1-3-15(12)16/h1-8,11,18-19H,9-10H2
InChIKeyWATGZYOGSYUGGN-UHFFFAOYSA-N
XLogP3.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 3247488) is 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is WATGZYOGSYUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c17-13-5-7-14(8-6-13)22(20,21)19-10-9-12-11-18-16-4-2-1-3-15(12)16/h1-8,11,18-19H,9-10H2.
What are the key properties of 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3247488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).