(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H16BrNO2S — CID 7510411

IUPAC(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Br
InChIInChI=1S/C16H16BrNO2S/c1-11-9-14(7-8-15(11)17)21(19,20)18-12(2)10-13-5-3-4-6-16(13)18/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyZNOZGLDACHZVSA-GFCCVEGCSA-N
MW366.28 g/mol
LogP3.90
Rot. Bonds2

About (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 7510411) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID7510411
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Br
InChIInChI=1S/C16H16BrNO2S/c1-11-9-14(7-8-15(11)17)21(19,20)18-12(2)10-13-5-3-4-6-16(13)18/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyZNOZGLDACHZVSA-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

(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
CID 110759759
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 43109587
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 60575082

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 7510411) is (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Br.
What is the InChIKey of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is ZNOZGLDACHZVSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-11-9-14(7-8-15(11)17)21(19,20)18-12(2)10-13-5-3-4-6-16(13)18/h3-9,12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
(2R)-1-(4-bromo-3-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-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 7510411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).