sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate

C17H18NNaO5S2 — CID 23671202

IUPACsodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(CSCCNS(=O)(=O)c2ccccc2)cc1.[Na+]
InChIInChI=1S/C17H19NO5S2.Na/c19-17(20)12-23-15-8-6-14(7-9-15)13-24-11-10-18-25(21,22)16-4-2-1-3-5-16;/h1-9,18H,10-13H2,(H,19,20);/q;+1/p-1
InChIKeyFSPGPPDGKAFVES-UHFFFAOYSA-M
MW403.46 g/mol
LogP-1.97
Rot. Bonds10

About sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate

sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate (PubChem CID 23671202) has the molecular formula C17H18NNaO5S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate.

Molecular Properties

Compound Namesodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate
PubChem CID23671202
Molecular FormulaC17H18NNaO5S2
Molecular Weight403.46 g/mol
Exact Mass403.05
IUPAC Namesodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(CSCCNS(=O)(=O)c2ccccc2)cc1.[Na+]
InChIInChI=1S/C17H19NO5S2.Na/c19-17(20)12-23-15-8-6-14(7-9-15)13-24-11-10-18-25(21,22)16-4-2-1-3-5-16;/h1-9,18H,10-13H2,(H,19,20);/q;+1/p-1
InChIKeyFSPGPPDGKAFVES-UHFFFAOYSA-M
XLogP-1.97
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]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-[4-[2-[1-(benzenesulfonamido)ethylsulfanyl]ethyl]phenoxy]acetate
CID 23671206
sodium 2-[4-[2-[1-(benzenesulfonamido)propylsulfanyl]ethyl]phenoxy]acetate
CID 23671207
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide
CID 3886966
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487
N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126117629
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126035196
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 23685647
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035

Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate?
The IUPAC name of sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate (CID 23671202) is sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate.
What is the SMILES notation for sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate?
The canonical SMILES for sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate is O=C([O-])COc1ccc(CSCCNS(=O)(=O)c2ccccc2)cc1.[Na+].
What is the InChIKey of sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate?
The InChIKey is FSPGPPDGKAFVES-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO5S2.Na/c19-17(20)12-23-15-8-6-14(7-9-15)13-24-11-10-18-25(21,22)16-4-2-1-3-5-16;/h1-9,18H,10-13H2,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate?
sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate has a molecular weight of 403.46 g/mol, XLogP of -1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate is sourced from PubChem (CID 23671202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).