N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine

C19H22N2O2S — CID 177498842

IUPACN,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
SMILESCCN(CC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C19H22N2O2S/c1-4-20(5-2)19-14-21(18-9-7-6-8-17(18)19)24(22,23)16-12-10-15(3)11-13-16/h6-14H,4-5H2,1-3H3
InChIKeyASRAYFNAYBBHLJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.03
Rot. Bonds5

About N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine

N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine (PubChem CID 177498842) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
PubChem CID177498842
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
SMILESCCN(CC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C19H22N2O2S/c1-4-20(5-2)19-14-21(18-9-7-6-8-17(18)19)24(22,23)16-12-10-15(3)11-13-16/h6-14H,4-5H2,1-3H3
InChIKeyASRAYFNAYBBHLJ-UHFFFAOYSA-N
XLogP4.03
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-1-(4-methylphenyl)sulfonylindole
CID 102180391
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
(2S)-2-[[1-(benzenesulfonyl)indol-3-yl]-ethylamino]-3-phenylpropanoic acid
CID 25067037
(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol
CID 134945061
(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-4-phenylbutanenitrile
CID 162417672
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
2-imino-5-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 171127608
(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide
CID 2372285

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine?
The IUPAC name of N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine (CID 177498842) is N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine.
What is the SMILES notation for N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine?
The canonical SMILES for N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine is CCN(CC)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine?
The InChIKey is ASRAYFNAYBBHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-20(5-2)19-14-21(18-9-7-6-8-17(18)19)24(22,23)16-12-10-15(3)11-13-16/h6-14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine?
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine has a molecular weight of 342.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine is sourced from PubChem (CID 177498842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).