lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride

C11H15FLiNO4S — CID 174172441

IUPAClithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride
SMILESCCCCOC(=O)c1cc(F)ccc1S(N)(=O)=O.[H-].[Li+]
InChIInChI=1S/C11H14FNO4S.Li.H/c1-2-3-6-17-11(14)9-7-8(12)4-5-10(9)18(13,15)16;;/h4-5,7H,2-3,6H2,1H3,(H2,13,15,16);;/q;+1;-1
InChIKeyUYNYBGYRUJCVOR-UHFFFAOYSA-N
MW283.25 g/mol
LogP-1.45
Rot. Bonds5

About lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride

lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride (PubChem CID 174172441) has the molecular formula C11H15FLiNO4S and a molecular weight of 283.25 g/mol. Its IUPAC name is lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride.

Molecular Properties

Compound Namelithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride
PubChem CID174172441
Molecular FormulaC11H15FLiNO4S
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Namelithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride
SMILESCCCCOC(=O)c1cc(F)ccc1S(N)(=O)=O.[H-].[Li+]
InChIInChI=1S/C11H14FNO4S.Li.H/c1-2-3-6-17-11(14)9-7-8(12)4-5-10(9)18(13,15)16;;/h4-5,7H,2-3,6H2,1H3,(H2,13,15,16);;/q;+1;-1
InChIKeyUYNYBGYRUJCVOR-UHFFFAOYSA-N
XLogP-1.45
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
butyl 2-bromo-5-fluorobenzoate
CID 112724264
heptadecyl 2,5-difluorobenzoate
CID 91723296
decyl 2-sulfamoylbenzoate
CID 139665617
hexyl 2-amino-5-fluorobenzoate
CID 63447240
pentyl 4-chloro-2-fluoro-5-sulfamoylbenzoate
CID 65379672
icosyl 2,4-difluorobenzoate
CID 91723271
butyl 2,6-dimethoxy-3-sulfamoylbenzoate
CID 65379600
pentyl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65382503
propyl 2,5-difluorobenzoate
CID 43416946
butyl 2-bromo-5-sulfamoylbenzoate
CID 60730717
2-O-[(2-bromo-5-fluorophenyl)methyl] 1-O-butyl benzene-1,2-dicarboxylate
CID 91720603

Frequently Asked Questions

What is the IUPAC name of lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride?
The IUPAC name of lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride (CID 174172441) is lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride.
What is the SMILES notation for lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride?
The canonical SMILES for lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride is CCCCOC(=O)c1cc(F)ccc1S(N)(=O)=O.[H-].[Li+].
What is the InChIKey of lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride?
The InChIKey is UYNYBGYRUJCVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S.Li.H/c1-2-3-6-17-11(14)9-7-8(12)4-5-10(9)18(13,15)16;;/h4-5,7H,2-3,6H2,1H3,(H2,13,15,16);;/q;+1;-1.
What are the key properties of lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride?
lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride has a molecular weight of 283.25 g/mol, XLogP of -1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride is sourced from PubChem (CID 174172441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).