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

C16H17NO2S — CID 4205010

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C16H17NO2S/c1-12-7-9-15(10-8-12)20(18,19)17-13(2)11-14-5-3-4-6-16(14)17/h3-10,13H,11H2,1-2H3
InChIKeyATKRMENXGNZBKM-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.13
Rot. Bonds2

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

2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 4205010) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID4205010
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C16H17NO2S/c1-12-7-9-15(10-8-12)20(18,19)17-13(2)11-14-5-3-4-6-16(14)17/h3-10,13H,11H2,1-2H3
InChIKeyATKRMENXGNZBKM-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 316053
N,4-Dimethyl-N-phenylbenzenesulfonamide
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CID 710426
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
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2,2,4,6-Tetramethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 604128
2,2,4,7-Tetramethyl-1-(4-methylphenyl)sulfonylquinoline
CID 687221
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
Arylsulfonylpiperazine, 29
CID 19684374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 4205010) is 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is ATKRMENXGNZBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-7-9-15(10-8-12)20(18,19)17-13(2)11-14-5-3-4-6-16(14)17/h3-10,13H,11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 287.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 4205010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).