3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride

C11H11BrClNO2S — CID 87166782

IUPAC3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H11BrClNO2S/c12-10-3-1-4-11-9(10)5-7-14(11)6-2-8-17(13,15)16/h1,3-5,7H,2,6,8H2
InChIKeyYSXHQNOPZAMABW-UHFFFAOYSA-N
MW336.64 g/mol
LogP3.36
Rot. Bonds4

About 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride

3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride (PubChem CID 87166782) has the molecular formula C11H11BrClNO2S and a molecular weight of 336.64 g/mol. Its IUPAC name is 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride
PubChem CID87166782
Molecular FormulaC11H11BrClNO2S
Molecular Weight336.64 g/mol
Exact Mass334.94
IUPAC Name3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H11BrClNO2S/c12-10-3-1-4-11-9(10)5-7-14(11)6-2-8-17(13,15)16/h1,3-5,7H,2,6,8H2
InChIKeyYSXHQNOPZAMABW-UHFFFAOYSA-N
XLogP3.36
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.64
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride (CID 87166782) is 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCn1ccc2c(Br)cccc21.
What is the InChIKey of 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride?
The InChIKey is YSXHQNOPZAMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2S/c12-10-3-1-4-11-9(10)5-7-14(11)6-2-8-17(13,15)16/h1,3-5,7H,2,6,8H2.
What are the key properties of 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride?
3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride has a molecular weight of 336.64 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoindol-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 87166782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).