2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

C21H19NO5S — CID 15078396

IUPAC2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C21H19NO5S/c23-21(24)13-27-19-7-5-16-9-18(10-17(16)11-19)22-28(25,26)20-8-6-14-3-1-2-4-15(14)12-20/h1-8,11-12,18,22H,9-10,13H2,(H,23,24)
InChIKeyBHSAOZXNKBHOJQ-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.75
Rot. Bonds6

About 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 15078396) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID15078396
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C21H19NO5S/c23-21(24)13-27-19-7-5-16-9-18(10-17(16)11-19)22-28(25,26)20-8-6-14-3-1-2-4-15(14)12-20/h1-8,11-12,18,22H,9-10,13H2,(H,23,24)
InChIKeyBHSAOZXNKBHOJQ-UHFFFAOYSA-N
XLogP2.75
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid with MolForge

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Related Compounds

naphthalene-N-sulfonyl-D-glu derivative, 17g
CID 25138188
{2-[(4-Chlorophenyl)sulfonylamino]indan-5-yl}oxyacetic acid
CID 15078392
2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078394
2-[[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078400
2-[[1-[(naphthalen-2-ylsulfonylamino)methyl]-3,4-dihydro-1H-isochromen-6-yl]oxy]acetic acid
CID 44211100
2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 16725046
2-[[5-[1-[(4-Fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid
CID 19782183
2-[[6-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855454
2-[[6-[(4-Fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855458
2-[[6-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855460
2-[[5-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855465
2-[[6-[(4-Fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855467

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 15078396) is 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc3ccccc3c1)C2.
What is the InChIKey of 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The InChIKey is BHSAOZXNKBHOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c23-21(24)13-27-19-7-5-16-9-18(10-17(16)11-19)22-28(25,26)20-8-6-14-3-1-2-4-15(14)12-20/h1-8,11-12,18,22H,9-10,13H2,(H,23,24).
What are the key properties of 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 397.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is sourced from PubChem (CID 15078396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).