5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H16BrNO3S — CID 133239527

IUPAC5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(Br)cc3CC2C)cc1
InChIInChI=1S/C16H16BrNO3S/c1-11-9-12-10-13(17)3-8-16(12)18(11)22(19,20)15-6-4-14(21-2)5-7-15/h3-8,10-11H,9H2,1-2H3
InChIKeyOKMNJNANPIWLAH-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.60
Rot. Bonds3

About 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 133239527) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID133239527
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC Name5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(Br)cc3CC2C)cc1
InChIInChI=1S/C16H16BrNO3S/c1-11-9-12-10-13(17)3-8-16(12)18(11)22(19,20)15-6-4-14(21-2)5-7-15/h3-8,10-11H,9H2,1-2H3
InChIKeyOKMNJNANPIWLAH-UHFFFAOYSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239520
5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239524
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24563307
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
3-[[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-ethyl-4-methoxybenzamide
CID 125047709
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 7126501

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 133239527) is 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3CC2C)cc1.
What is the InChIKey of 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is OKMNJNANPIWLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-11-9-12-10-13(17)3-8-16(12)18(11)22(19,20)15-6-4-14(21-2)5-7-15/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 382.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 133239527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).