(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H16BrNO2S — CID 8511937

IUPAC(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCc1ccc(Br)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C16H16BrNO2S/c1-11-7-8-14(17)10-16(11)21(19,20)18-12(2)9-13-5-3-4-6-15(13)18/h3-8,10,12H,9H2,1-2H3/t12-/m1/s1
InChIKeyJZVBZKUYTXCKKT-GFCCVEGCSA-N
MW366.28 g/mol
LogP3.90
Rot. Bonds2

About (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 8511937) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID8511937
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCc1ccc(Br)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C16H16BrNO2S/c1-11-7-8-14(17)10-16(11)21(19,20)18-12(2)9-13-5-3-4-6-15(13)18/h3-8,10,12H,9H2,1-2H3/t12-/m1/s1
InChIKeyJZVBZKUYTXCKKT-GFCCVEGCSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
4-[4-methyl-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 92702768
6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 92683798
N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 60575082
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 8511937) is (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is Cc1ccc(Br)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is JZVBZKUYTXCKKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-11-7-8-14(17)10-16(11)21(19,20)18-12(2)9-13-5-3-4-6-15(13)18/h3-8,10,12H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 366.28 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 8511937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).