1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole

C18H19NO2S2 — CID 14615864

IUPAC1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
SMILESCCSC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO2S2/c1-3-22-14(2)18-13-15-9-7-8-12-17(15)19(18)23(20,21)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3
InChIKeyKYDPFCSDMRRGOM-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.69
Rot. Bonds5

About 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole

1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole (PubChem CID 14615864) has the molecular formula C18H19NO2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
PubChem CID14615864
Molecular FormulaC18H19NO2S2
Molecular Weight345.49 g/mol
Exact Mass345.09
IUPAC Name1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
SMILESCCSC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO2S2/c1-3-22-14(2)18-13-15-9-7-8-12-17(15)19(18)23(20,21)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3
InChIKeyKYDPFCSDMRRGOM-UHFFFAOYSA-N
XLogP4.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 88588324
CID 88588324
N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide
CID 101435738
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
CID 15421387
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
1-(4-methylphenyl)sulfonyl-2-(1-piperidin-1-yloctyl)indole
CID 24899110
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoic acid
CID 67045077
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole (CID 14615864) is 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole is CCSC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole?
The InChIKey is KYDPFCSDMRRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S2/c1-3-22-14(2)18-13-15-9-7-8-12-17(15)19(18)23(20,21)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole?
1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole has a molecular weight of 345.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole is sourced from PubChem (CID 14615864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).