6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride

C12H7BrClN3O2S — CID 170742672

IUPAC6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(-c3cccnn3)c(Br)ccc12
InChIInChI=1S/C12H7BrClN3O2S/c13-8-4-3-7-10(20(14,18)19)6-15-12(7)11(8)9-2-1-5-16-17-9/h1-6,15H
InChIKeyPCWXWMRLLPMORF-UHFFFAOYSA-N
MW372.63 g/mol
LogP3.31
Rot. Bonds2

About 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride

6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride (PubChem CID 170742672) has the molecular formula C12H7BrClN3O2S and a molecular weight of 372.63 g/mol. Its IUPAC name is 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride
PubChem CID170742672
Molecular FormulaC12H7BrClN3O2S
Molecular Weight372.63 g/mol
Exact Mass370.91
IUPAC Name6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(-c3cccnn3)c(Br)ccc12
InChIInChI=1S/C12H7BrClN3O2S/c13-8-4-3-7-10(20(14,18)19)6-15-12(7)11(8)9-2-1-5-16-17-9/h1-6,15H
InChIKeyPCWXWMRLLPMORF-UHFFFAOYSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride (CID 170742672) is 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2c(-c3cccnn3)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride?
The InChIKey is PCWXWMRLLPMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O2S/c13-8-4-3-7-10(20(14,18)19)6-15-12(7)11(8)9-2-1-5-16-17-9/h1-6,15H.
What are the key properties of 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride?
6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride has a molecular weight of 372.63 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 170742672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).