sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide

C13H18NNaO4S2 — CID 23690128

IUPACsodium N-(6-oxidosulfonothioyloxyhexyl)benzamide
SMILESO=C(NCCCCCCOS(=O)([O-])=S)c1ccccc1.[Na+]
InChIInChI=1S/C13H19NO4S2.Na/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-18-20(16,17)19;/h3-5,8-9H,1-2,6-7,10-11H2,(H,14,15)(H,16,17,19);/q;+1/p-1
InChIKeyXSYVEAAVIYKCJK-UHFFFAOYSA-M
MW339.41 g/mol
LogP-1.21
Rot. Bonds9

About sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide

sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide (PubChem CID 23690128) has the molecular formula C13H18NNaO4S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide.

Molecular Properties

Compound Namesodium N-(6-oxidosulfonothioyloxyhexyl)benzamide
PubChem CID23690128
Molecular FormulaC13H18NNaO4S2
Molecular Weight339.41 g/mol
Exact Mass339.06
IUPAC Namesodium N-(6-oxidosulfonothioyloxyhexyl)benzamide
SMILESO=C(NCCCCCCOS(=O)([O-])=S)c1ccccc1.[Na+]
InChIInChI=1S/C13H19NO4S2.Na/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-18-20(16,17)19;/h3-5,8-9H,1-2,6-7,10-11H2,(H,14,15)(H,16,17,19);/q;+1/p-1
InChIKeyXSYVEAAVIYKCJK-UHFFFAOYSA-M
XLogP-1.21
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium [4-(5-benzamidopentoxy)anilino]methanesulfonate
CID 24840049
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
6-[(4-nitrobenzoyl)amino]hexyl methanesulfonate
CID 101182863
3-benzamidopropyl sulfite
CID 174467673
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-(4-oxopentyl)benzamide
CID 10798281
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
trimethylsilyl 10-benzamidodecanoate
CID 10808726
N-(5-diphenoxyphosphorylpentyl)benzamide
CID 71323655
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
methyl 4-benzamidobutanoate
CID 13197711

Frequently Asked Questions

What is the IUPAC name of sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide?
The IUPAC name of sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide (CID 23690128) is sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide.
What is the SMILES notation for sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide?
The canonical SMILES for sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide is O=C(NCCCCCCOS(=O)([O-])=S)c1ccccc1.[Na+].
What is the InChIKey of sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide?
The InChIKey is XSYVEAAVIYKCJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19NO4S2.Na/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-18-20(16,17)19;/h3-5,8-9H,1-2,6-7,10-11H2,(H,14,15)(H,16,17,19);/q;+1/p-1.
What are the key properties of sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide?
sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide has a molecular weight of 339.41 g/mol, XLogP of -1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(6-oxidosulfonothioyloxyhexyl)benzamide is sourced from PubChem (CID 23690128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).