5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole

C13H16BrNO3S — CID 75511460

IUPAC5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole
SMILESCC1OCCC1S(=O)(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNO3S/c1-9-13(5-7-18-9)19(16,17)15-6-4-10-8-11(14)2-3-12(10)15/h2-3,8-9,13H,4-7H2,1H3
InChIKeyGDPVCTNCQAEIFC-UHFFFAOYSA-N
MW346.25 g/mol
LogP2.32
Rot. Bonds2

About 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole

5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole (PubChem CID 75511460) has the molecular formula C13H16BrNO3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole
PubChem CID75511460
Molecular FormulaC13H16BrNO3S
Molecular Weight346.25 g/mol
Exact Mass345.00
IUPAC Name5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole
SMILESCC1OCCC1S(=O)(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNO3S/c1-9-13(5-7-18-9)19(16,17)15-6-4-10-8-11(14)2-3-12(10)15/h2-3,8-9,13H,4-7H2,1H3
InChIKeyGDPVCTNCQAEIFC-UHFFFAOYSA-N
XLogP2.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
CID 176658466
4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
CID 124861706
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 99830889
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95169419
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 56582877
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 60586163
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole (CID 75511460) is 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole is CC1OCCC1S(=O)(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is GDPVCTNCQAEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3S/c1-9-13(5-7-18-9)19(16,17)15-6-4-10-8-11(14)2-3-12(10)15/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole?
5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 346.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 75511460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).