2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine

C19H22N2O4S — CID 11595914

IUPAC2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
SMILESCOc1ccc(OC)c2c1c(CCN)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-15(7-5-13)26(22,23)21-12-14(10-11-20)18-16(24-2)8-9-17(25-3)19(18)21/h4-9,12H,10-11,20H2,1-3H3
InChIKeyJFLMUJDYPXVCGD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.71
Rot. Bonds6

About 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine

2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine (PubChem CID 11595914) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
PubChem CID11595914
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
SMILESCOc1ccc(OC)c2c1c(CCN)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-15(7-5-13)26(22,23)21-12-14(10-11-20)18-16(24-2)8-9-17(25-3)19(18)21/h4-9,12H,10-11,20H2,1-3H3
InChIKeyJFLMUJDYPXVCGD-UHFFFAOYSA-N
XLogP2.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11671435
2-[7-methoxy-1-(4-methylphenyl)sulfonylindol-4-yl]acetonitrile
CID 13088187
7-methoxy-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine
CID 123135650
(3S)-1-hydroxy-3-[7-methoxy-1-(4-methylphenyl)sulfonylindol-4-yl]butan-2-one
CID 11269210
7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 173164693
3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
CID 82495903
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
3,6-bis(3,4-dimethoxyphenyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,2,4,5-tetrazine
CID 102109813
2-iodo-4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 141137039
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 118871807
4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
CID 70688086

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine (CID 11595914) is 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine is COc1ccc(OC)c2c1c(CCN)cn2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine?
The InChIKey is JFLMUJDYPXVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-4-6-15(7-5-13)26(22,23)21-12-14(10-11-20)18-16(24-2)8-9-17(25-3)19(18)21/h4-9,12H,10-11,20H2,1-3H3.
What are the key properties of 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine?
2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine has a molecular weight of 374.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 11595914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).