sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate

C22H20NNaO4S — CID 23673317

IUPACsodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
SMILESO=C([O-])Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2.[Na+]
InChIInChI=1S/C22H21NO4S.Na/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21;/h1-9,13,16,23H,10-12,14H2,(H,24,25);/q;+1/p-1
InChIKeyPCNWIAORZRRLPQ-UHFFFAOYSA-M
MW417.46 g/mol
LogP-1.17
Rot. Bonds6

About sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate

sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate (PubChem CID 23673317) has the molecular formula C22H20NNaO4S and a molecular weight of 417.46 g/mol. Its IUPAC name is sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate.

Molecular Properties

Compound Namesodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
PubChem CID23673317
Molecular FormulaC22H20NNaO4S
Molecular Weight417.46 g/mol
Exact Mass417.10
IUPAC Namesodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
SMILESO=C([O-])Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2.[Na+]
InChIInChI=1S/C22H21NO4S.Na/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21;/h1-9,13,16,23H,10-12,14H2,(H,24,25);/q;+1/p-1
InChIKeyPCNWIAORZRRLPQ-UHFFFAOYSA-M
XLogP-1.17
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353186
sodium 2-[2-[(naphthalen-1-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353316
[4-(4-Cyclohexylsulfamoyl-phenyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711512
2-[6-Fluoro-3-methyl-4-[4-(propan-2-ylsulfamoyl)phenyl]naphthalen-2-yl]acetic acid
CID 71711644
sodium 2-[2-[(cyclohexylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353309
sodium 2-[2-[(benzylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353319
2-[7-[(Naphthalen-2-ylsulfonylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]acetic acid
CID 9954506
2-[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
CID 14071536
methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate
CID 146168596
4-{[(Naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid
CID 15895382
2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetic acid
CID 10409713
[2-(Phenylsulfonylaminomethyl)indan-5-yl]acetic acid
CID 15290037

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
The IUPAC name of sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate (CID 23673317) is sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate.
What is the SMILES notation for sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
The canonical SMILES for sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate is O=C([O-])Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2.[Na+].
What is the InChIKey of sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
The InChIKey is PCNWIAORZRRLPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21NO4S.Na/c24-22(25)12-15-5-6-19-10-16(11-20(19)9-15)14-23-28(26,27)21-8-7-17-3-1-2-4-18(17)13-21;/h1-9,13,16,23H,10-12,14H2,(H,24,25);/q;+1/p-1.
What are the key properties of sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate has a molecular weight of 417.46 g/mol, XLogP of -1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate is sourced from PubChem (CID 23673317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).