2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline

C18H19FN2O3S — CID 126803059

IUPAC2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
SMILESCOc1cccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3F)c12
InChIInChI=1S/C18H19FN2O3S/c1-24-17-5-3-4-16-18(17)12(11-21-16)8-9-20-15-7-6-13(10-14(15)19)25(2,22)23/h3-7,10-11,20-21H,8-9H2,1-2H3
InChIKeyFTGAAPUJUVDXKK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.37
Rot. Bonds6

About 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline

2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline (PubChem CID 126803059) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
PubChem CID126803059
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
SMILESCOc1cccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3F)c12
InChIInChI=1S/C18H19FN2O3S/c1-24-17-5-3-4-16-18(17)12(11-21-16)8-9-20-15-7-6-13(10-14(15)19)25(2,22)23/h3-7,10-11,20-21H,8-9H2,1-2H3
InChIKeyFTGAAPUJUVDXKK-UHFFFAOYSA-N
XLogP3.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
CID 133452791
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
3-fluoro-4-methoxy-1H-indole
CID 162696038
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
2-[4-(3,5-difluoro-4-methoxybenzoyl)oxy-1H-indol-3-yl]ethyl-trimethylazanium
CID 169186126
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 170218830
4-methoxy-1H-indole-3-sulfonyl chloride
CID 24749816
[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] 4-fluorobenzenesulfonate
CID 163399467

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
The IUPAC name of 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline (CID 126803059) is 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline.
What is the SMILES notation for 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
The canonical SMILES for 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline is COc1cccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3F)c12.
What is the InChIKey of 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
The InChIKey is FTGAAPUJUVDXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-24-17-5-3-4-16-18(17)12(11-21-16)8-9-20-15-7-6-13(10-14(15)19)25(2,22)23/h3-7,10-11,20-21H,8-9H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline has a molecular weight of 362.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline is sourced from PubChem (CID 126803059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).