4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide

C15H13BrN2O2S — CID 66574229

IUPAC4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C15H13BrN2O2S/c16-12-3-6-15-14(8-12)11(9-18-15)7-10-1-4-13(5-2-10)21(17,19)20/h1-6,8-9,18H,7H2,(H2,17,19,20)
InChIKeyPUMLTBKEKCFMDO-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.17
Rot. Bonds3

About 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide

4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide (PubChem CID 66574229) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide
PubChem CID66574229
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C15H13BrN2O2S/c16-12-3-6-15-14(8-12)11(9-18-15)7-10-1-4-13(5-2-10)21(17,19)20/h1-6,8-9,18H,7H2,(H2,17,19,20)
InChIKeyPUMLTBKEKCFMDO-UHFFFAOYSA-N
XLogP3.17
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide (CID 66574229) is 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(Cc2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide?
The InChIKey is PUMLTBKEKCFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-12-3-6-15-14(8-12)11(9-18-15)7-10-1-4-13(5-2-10)21(17,19)20/h1-6,8-9,18H,7H2,(H2,17,19,20).
What are the key properties of 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide?
4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1H-indol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 66574229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).