sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate

C20H20ClN2NaO6S — CID 23685652

IUPACsodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate
SMILESO=C([O-])CCNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+]
InChIInChI=1S/C20H21ClN2O6S.Na/c21-15-2-5-18(6-3-15)30(27,28)23-16-9-13-1-4-17(11-14(13)10-16)29-12-19(24)22-8-7-20(25)26;/h1-6,11,16,23H,7-10,12H2,(H,22,24)(H,25,26);/q;+1/p-1
InChIKeySOJJAQMEGQOHIO-UHFFFAOYSA-M
MW474.90 g/mol
LogP-2.58
Rot. Bonds9

About sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate

sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate (PubChem CID 23685652) has the molecular formula C20H20ClN2NaO6S and a molecular weight of 474.90 g/mol. Its IUPAC name is sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate.

Molecular Properties

Compound Namesodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate
PubChem CID23685652
Molecular FormulaC20H20ClN2NaO6S
Molecular Weight474.90 g/mol
Exact Mass474.06
IUPAC Namesodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate
SMILESO=C([O-])CCNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+]
InChIInChI=1S/C20H21ClN2O6S.Na/c21-15-2-5-18(6-3-15)30(27,28)23-16-9-13-1-4-17(11-14(13)10-16)29-12-19(24)22-8-7-20(25)26;/h1-6,11,16,23H,7-10,12H2,(H,22,24)(H,25,26);/q;+1/p-1
InChIKeySOJJAQMEGQOHIO-UHFFFAOYSA-M
XLogP-2.58
TPSA124.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate with MolForge

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Related Compounds

3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoic acid
CID 15078407
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 23685647
sodium 4-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetyl]amino]butanoate
CID 23712405
3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
sodium 4-[[2-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetyl]amino]butanoate
CID 67937538
3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate
CID 19776949
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
CID 3087365
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125

Frequently Asked Questions

What is the IUPAC name of sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate?
The IUPAC name of sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate (CID 23685652) is sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate.
What is the SMILES notation for sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate?
The canonical SMILES for sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate is O=C([O-])CCNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+].
What is the InChIKey of sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate?
The InChIKey is SOJJAQMEGQOHIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21ClN2O6S.Na/c21-15-2-5-18(6-3-15)30(27,28)23-16-9-13-1-4-17(11-14(13)10-16)29-12-19(24)22-8-7-20(25)26;/h1-6,11,16,23H,7-10,12H2,(H,22,24)(H,25,26);/q;+1/p-1.
What are the key properties of sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate?
sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate has a molecular weight of 474.90 g/mol, XLogP of -2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate is sourced from PubChem (CID 23685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).