[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate

C19H21NO4S — CID 22678928

IUPAC[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
SMILESCC(=O)OC1CCc2ccccc2C1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-13-7-10-16(11-8-13)25(22,23)20-19-17-6-4-3-5-15(17)9-12-18(19)24-14(2)21/h3-8,10-11,18-20H,9,12H2,1-2H3
InChIKeyYMMKNHZZZCWDLQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.89
Rot. Bonds4

About [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate

[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate (PubChem CID 22678928) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate.

Molecular Properties

Compound Name[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
PubChem CID22678928
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
SMILESCC(=O)OC1CCc2ccccc2C1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-13-7-10-16(11-8-13)25(22,23)20-19-17-6-4-3-5-15(17)9-12-18(19)24-14(2)21/h3-8,10-11,18-20H,9,12H2,1-2H3
InChIKeyYMMKNHZZZCWDLQ-UHFFFAOYSA-N
XLogP2.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 2-oxo-2-phenylacetate
CID 10993798
[(1R,2S)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] (2R,3S)-3-hydroxy-2-methylbutanoate
CID 134930543
[(1R,2S)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpentanoate
CID 15182060
[(1R,2S)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] (2R,3S)-2-chloro-3-hydroxy-3-phenylpropanoate
CID 12992233
[(1S,2S)-1-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 168894723
[(1R,2S)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] (3R)-3-hydroxy-4-phenylmethoxybutanoate
CID 12992244
[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate
CID 10688596
[(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] (2S,3S)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11237536
4-chloro-N-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzenesulfonamide
CID 20715221
methyl 2-(4-methylphenyl)sulfonyl-3-oxo-4,5-dihydro-1H-2-benzazepine-1-carboxylate
CID 10738101
[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] 2-chlorobenzoate
CID 102181251
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
The IUPAC name of [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate (CID 22678928) is [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate.
What is the SMILES notation for [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
The canonical SMILES for [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate is CC(=O)OC1CCc2ccccc2C1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
The InChIKey is YMMKNHZZZCWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13-7-10-16(11-8-13)25(22,23)20-19-17-6-4-3-5-15(17)9-12-18(19)24-14(2)21/h3-8,10-11,18-20H,9,12H2,1-2H3.
What are the key properties of [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate has a molecular weight of 359.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate is sourced from PubChem (CID 22678928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).