methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate

C18H18FNO4S — CID 110672702

IUPACmethyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2C)c2ccccc21
InChIInChI=1S/C18H18FNO4S/c1-12-9-14(19)7-8-17(12)25(22,23)20-11-13(10-18(21)24-2)15-5-3-4-6-16(15)20/h3-9,13H,10-11H2,1-2H3
InChIKeyMPPNAQSYDSJENK-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate (PubChem CID 110672702) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate
PubChem CID110672702
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Namemethyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2C)c2ccccc21
InChIInChI=1S/C18H18FNO4S/c1-12-9-14(19)7-8-17(12)25(22,23)20-11-13(10-18(21)24-2)15-5-3-4-6-16(15)20/h3-9,13H,10-11H2,1-2H3
InChIKeyMPPNAQSYDSJENK-UHFFFAOYSA-N
XLogP2.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
CID 110672703
methyl 2-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672713
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
4-[[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]sulfonyl]-5-methylthiophene-2-carboxylic acid
CID 136546168
methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate
CID 102334192
methyl 3-(4-fluoro-2-methylphenyl)sulfonylpropanoate
CID 117037058
1-(4-fluoro-2-methylphenyl)sulfonyl-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 75369525
methyl 2-(4-fluoro-2-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 42942224
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate (CID 110672702) is methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(S(=O)(=O)c2ccc(F)cc2C)c2ccccc21.
What is the InChIKey of methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate?
The InChIKey is MPPNAQSYDSJENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-12-9-14(19)7-8-17(12)25(22,23)20-11-13(10-18(21)24-2)15-5-3-4-6-16(15)20/h3-9,13H,10-11H2,1-2H3.
What are the key properties of methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate has a molecular weight of 363.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 110672702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).