1-(benzenesulfonyl)-3-bromoindole

C14H10BrNO2S — CID 2776215

IUPAC1-(benzenesulfonyl)-3-bromoindole
SMILESO=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21
InChIInChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChIKeyMXPFKHHDXIJNDX-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.64
Rot. Bonds2

About 1-(benzenesulfonyl)-3-bromoindole

1-(benzenesulfonyl)-3-bromoindole (PubChem CID 2776215) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-bromoindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-bromoindole
PubChem CID2776215
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name1-(benzenesulfonyl)-3-bromoindole
SMILESO=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21
InChIInChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChIKeyMXPFKHHDXIJNDX-UHFFFAOYSA-N
XLogP3.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-bromoindole?
The IUPAC name of 1-(benzenesulfonyl)-3-bromoindole (CID 2776215) is 1-(benzenesulfonyl)-3-bromoindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-bromoindole?
The canonical SMILES for 1-(benzenesulfonyl)-3-bromoindole is O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-bromoindole?
The InChIKey is MXPFKHHDXIJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-(benzenesulfonyl)-3-bromoindole?
1-(benzenesulfonyl)-3-bromoindole has a molecular weight of 336.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-bromoindole is sourced from PubChem (CID 2776215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).