2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine

C17H20N2O2S — CID 14916960

IUPAC2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(CCN)ccc32)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-2-5-16(6-3-13)22(20,21)19-11-9-15-12-14(8-10-18)4-7-17(15)19/h2-7,12H,8-11,18H2,1H3
InChIKeyONOWTAZSDCCEMJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine

2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 14916960) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
PubChem CID14916960
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(CCN)ccc32)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-2-5-16(6-3-13)22(20,21)19-11-9-15-12-14(8-10-18)4-7-17(15)19/h2-7,12H,8-11,18H2,1H3
InChIKeyONOWTAZSDCCEMJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carbonitrile
CID 71134780
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
2-[[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]methyl]isoindole-1,3-dione
CID 1250744
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 47784402
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
1,5-bis-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-7-amine
CID 22636747

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine (CID 14916960) is 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine is Cc1ccc(S(=O)(=O)N2CCc3cc(CCN)ccc32)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is ONOWTAZSDCCEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-2-5-16(6-3-13)22(20,21)19-11-9-15-12-14(8-10-18)4-7-17(15)19/h2-7,12H,8-11,18H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine?
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 316.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 14916960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).