5-bromo-6-chloro-1H-indole-3-sulfonyl chloride

C8H4BrCl2NO2S — CID 135201370

IUPAC5-bromo-6-chloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2cc(Cl)c(Br)cc12
InChIInChI=1S/C8H4BrCl2NO2S/c9-5-1-4-7(2-6(5)10)12-3-8(4)15(11,13)14/h1-3,12H
InChIKeyXHWZCJZQVHDAMP-UHFFFAOYSA-N
MW329.00 g/mol
LogP3.51
Rot. Bonds1

About 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride

5-bromo-6-chloro-1H-indole-3-sulfonyl chloride (PubChem CID 135201370) has the molecular formula C8H4BrCl2NO2S and a molecular weight of 329.00 g/mol. Its IUPAC name is 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-6-chloro-1H-indole-3-sulfonyl chloride
PubChem CID135201370
Molecular FormulaC8H4BrCl2NO2S
Molecular Weight329.00 g/mol
Exact Mass326.85
IUPAC Name5-bromo-6-chloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2cc(Cl)c(Br)cc12
InChIInChI=1S/C8H4BrCl2NO2S/c9-5-1-4-7(2-6(5)10)12-3-8(4)15(11,13)14/h1-3,12H
InChIKeyXHWZCJZQVHDAMP-UHFFFAOYSA-N
XLogP3.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.00
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride?
The IUPAC name of 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride (CID 135201370) is 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2cc(Cl)c(Br)cc12.
What is the InChIKey of 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride?
The InChIKey is XHWZCJZQVHDAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2NO2S/c9-5-1-4-7(2-6(5)10)12-3-8(4)15(11,13)14/h1-3,12H.
What are the key properties of 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride?
5-bromo-6-chloro-1H-indole-3-sulfonyl chloride has a molecular weight of 329.00 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 135201370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).