4-bromo-1-propan-2-ylsulfonylindole

C11H12BrNO2S — CID 161435716

IUPAC4-bromo-1-propan-2-ylsulfonylindole
SMILESCC(C)S(=O)(=O)n1ccc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO2S/c1-8(2)16(14,15)13-7-6-9-10(12)4-3-5-11(9)13/h3-8H,1-2H3
InChIKeyVYPRPZAHWOZGRZ-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.99
Rot. Bonds2

About 4-bromo-1-propan-2-ylsulfonylindole

4-bromo-1-propan-2-ylsulfonylindole (PubChem CID 161435716) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylsulfonylindole.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylsulfonylindole
PubChem CID161435716
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name4-bromo-1-propan-2-ylsulfonylindole
SMILESCC(C)S(=O)(=O)n1ccc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO2S/c1-8(2)16(14,15)13-7-6-9-10(12)4-3-5-11(9)13/h3-8H,1-2H3
InChIKeyVYPRPZAHWOZGRZ-UHFFFAOYSA-N
XLogP2.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylsulfonyl)-1H-indole
CID 315017
Pyrrolidinylindole, 6
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Substituted phenylsulfonyltryptamine, 11b
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1-(2-Bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole
CID 56666594
4-Bromoindole
CID 676494
1-[(4-bromophenyl)sulfonyl]-1H-indole
CID 2862716
[2-(1-Methanesulfonyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 10199220
6-Bromo-1-methyl-1H-indole
CID 15546854
5-Bromo-1-methyl-1H-indole
CID 285757
3-Bromo-(1-phenylsulfonyl)indole
CID 2776215
3-Bromo-1-methyl-1H-indole
CID 13357736
4-Bromo-1-methyl-1H-indole
CID 22558937

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylsulfonylindole?
The IUPAC name of 4-bromo-1-propan-2-ylsulfonylindole (CID 161435716) is 4-bromo-1-propan-2-ylsulfonylindole.
What is the SMILES notation for 4-bromo-1-propan-2-ylsulfonylindole?
The canonical SMILES for 4-bromo-1-propan-2-ylsulfonylindole is CC(C)S(=O)(=O)n1ccc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-propan-2-ylsulfonylindole?
The InChIKey is VYPRPZAHWOZGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c1-8(2)16(14,15)13-7-6-9-10(12)4-3-5-11(9)13/h3-8H,1-2H3.
What are the key properties of 4-bromo-1-propan-2-ylsulfonylindole?
4-bromo-1-propan-2-ylsulfonylindole has a molecular weight of 302.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylsulfonylindole is sourced from PubChem (CID 161435716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).