2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid

C17H17NO5S — CID 42958546

IUPAC2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H17NO5S/c1-12-10-13-4-2-3-5-16(13)18(12)24(21,22)15-8-6-14(7-9-15)23-11-17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyCZSZOQWXFCBIGK-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.29
Rot. Bonds5

About 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid

2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid (PubChem CID 42958546) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
PubChem CID42958546
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H17NO5S/c1-12-10-13-4-2-3-5-16(13)18(12)24(21,22)15-8-6-14(7-9-15)23-11-17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyCZSZOQWXFCBIGK-UHFFFAOYSA-N
XLogP2.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 56797616
N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide
CID 132672583
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
N-[5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 51435980
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331117
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid (CID 42958546) is 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
The InChIKey is CZSZOQWXFCBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-12-10-13-4-2-3-5-16(13)18(12)24(21,22)15-8-6-14(7-9-15)23-11-17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid has a molecular weight of 347.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid is sourced from PubChem (CID 42958546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).