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

C11H7BrClN3O2S — CID 170742766

IUPAC6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(-n3cccn3)c(Br)ccc12
InChIInChI=1S/C11H7BrClN3O2S/c12-8-3-2-7-9(19(13,17)18)6-14-10(7)11(8)16-5-1-4-15-16/h1-6,14H
InChIKeyHKKZMSATHMRLJJ-UHFFFAOYSA-N
MW360.62 g/mol
LogP3.04
Rot. Bonds2

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

6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride (PubChem CID 170742766) has the molecular formula C11H7BrClN3O2S and a molecular weight of 360.62 g/mol. Its IUPAC name is 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride
PubChem CID170742766
Molecular FormulaC11H7BrClN3O2S
Molecular Weight360.62 g/mol
Exact Mass358.91
IUPAC Name6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(-n3cccn3)c(Br)ccc12
InChIInChI=1S/C11H7BrClN3O2S/c12-8-3-2-7-9(19(13,17)18)6-14-10(7)11(8)16-5-1-4-15-16/h1-6,14H
InChIKeyHKKZMSATHMRLJJ-UHFFFAOYSA-N
XLogP3.04
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride (CID 170742766) is 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2c(-n3cccn3)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride?
The InChIKey is HKKZMSATHMRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O2S/c12-8-3-2-7-9(19(13,17)18)6-14-10(7)11(8)16-5-1-4-15-16/h1-6,14H.
What are the key properties of 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride?
6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride has a molecular weight of 360.62 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 170742766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).