sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate

C17H16NNaO5S — CID 23685647

IUPACsodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESO=C([O-])COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2.[Na+]
InChIInChI=1S/C17H17NO5S.Na/c19-17(20)11-23-15-7-6-12-8-14(9-13(12)10-15)18-24(21,22)16-4-2-1-3-5-16;/h1-7,10,14,18H,8-9,11H2,(H,19,20);/q;+1/p-1
InChIKeyUYBQVOWOMMQROL-UHFFFAOYSA-M
MW369.37 g/mol
LogP-2.73
Rot. Bonds6

About sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate

sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate (PubChem CID 23685647) has the molecular formula C17H16NNaO5S and a molecular weight of 369.37 g/mol. Its IUPAC name is sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate.

Molecular Properties

Compound Namesodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
PubChem CID23685647
Molecular FormulaC17H16NNaO5S
Molecular Weight369.37 g/mol
Exact Mass369.06
IUPAC Namesodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESO=C([O-])COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2.[Na+]
InChIInChI=1S/C17H17NO5S.Na/c19-17(20)11-23-15-7-6-12-8-14(9-13(12)10-15)18-24(21,22)16-4-2-1-3-5-16;/h1-7,10,14,18H,8-9,11H2,(H,19,20);/q;+1/p-1
InChIKeyUYBQVOWOMMQROL-UHFFFAOYSA-M
XLogP-2.73
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 5-2.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate
CID 23685652
3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoic acid
CID 15078407
2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25024474
2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 25025868
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
CID 14071542
2-[[2-[[4-bromo-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25026862
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876

Frequently Asked Questions

What is the IUPAC name of sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The IUPAC name of sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate (CID 23685647) is sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate.
What is the SMILES notation for sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The canonical SMILES for sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate is O=C([O-])COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2.[Na+].
What is the InChIKey of sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The InChIKey is UYBQVOWOMMQROL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17NO5S.Na/c19-17(20)11-23-15-7-6-12-8-14(9-13(12)10-15)18-24(21,22)16-4-2-1-3-5-16;/h1-7,10,14,18H,8-9,11H2,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate has a molecular weight of 369.37 g/mol, XLogP of -2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate is sourced from PubChem (CID 23685647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).