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

C17H17NO5S — CID 56797616

IUPAC2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
SMILESCC1CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)c2ccccc21
InChIInChI=1S/C17H17NO5S/c1-12-10-18(16-5-3-2-4-15(12)16)24(21,22)14-8-6-13(7-9-14)23-11-17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyOVJUVCXVSQIGMW-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.46
Rot. Bonds5

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

2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid (PubChem CID 56797616) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
PubChem CID56797616
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
SMILESCC1CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)c2ccccc21
InChIInChI=1S/C17H17NO5S/c1-12-10-18(16-5-3-2-4-15(12)16)24(21,22)14-8-6-13(7-9-14)23-11-17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyOVJUVCXVSQIGMW-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578840
4-[[(3R)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578841
(3S)-1-(4-ethoxyphenyl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632088
methyl 4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 60534669
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
CID 10054281
3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60534914
2-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]acetic acid
CID 61226405
3-methyl-1-(2-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 87026996
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
2-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]acetic acid
CID 70891893
2-[4-(3-fluoro-3-methylazetidin-1-yl)sulfonylphenoxy]acetic acid
CID 136570722

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid (CID 56797616) is 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid is CC1CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)c2ccccc21.
What is the InChIKey of 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
The InChIKey is OVJUVCXVSQIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-12-10-18(16-5-3-2-4-15(12)16)24(21,22)14-8-6-13(7-9-14)23-11-17(19)20/h2-9,12H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid?
2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid has a molecular weight of 347.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid is sourced from PubChem (CID 56797616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).