lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride

C10H14LiNO5S — CID 174205093

IUPAClithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride
SMILESCCOC(=O)c1cc(C)ccc1OS(N)(=O)=O.[H-].[Li+]
InChIInChI=1S/C10H13NO5S.Li.H/c1-3-15-10(12)8-6-7(2)4-5-9(8)16-17(11,13)14;;/h4-6H,3H2,1-2H3,(H2,11,13,14);;/q;+1;-1
InChIKeyOOORTTJLGAKPSO-UHFFFAOYSA-N
MW267.23 g/mol
LogP-2.13
Rot. Bonds4

About lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride

lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride (PubChem CID 174205093) has the molecular formula C10H14LiNO5S and a molecular weight of 267.23 g/mol. Its IUPAC name is lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride.

Molecular Properties

Compound Namelithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride
PubChem CID174205093
Molecular FormulaC10H14LiNO5S
Molecular Weight267.23 g/mol
Exact Mass267.08
IUPAC Namelithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride
SMILESCCOC(=O)c1cc(C)ccc1OS(N)(=O)=O.[H-].[Li+]
InChIInChI=1S/C10H13NO5S.Li.H/c1-3-15-10(12)8-6-7(2)4-5-9(8)16-17(11,13)14;;/h4-6H,3H2,1-2H3,(H2,11,13,14);;/q;+1;-1
InChIKeyOOORTTJLGAKPSO-UHFFFAOYSA-N
XLogP-2.13
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-propan-2-ylsulfonylbenzoate
CID 82553325
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
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ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
ethyl 2-(3-chloropropanoyl)-5-methylbenzoate
CID 134631759

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride?
The IUPAC name of lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride (CID 174205093) is lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride.
What is the SMILES notation for lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride?
The canonical SMILES for lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride is CCOC(=O)c1cc(C)ccc1OS(N)(=O)=O.[H-].[Li+].
What is the InChIKey of lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride?
The InChIKey is OOORTTJLGAKPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S.Li.H/c1-3-15-10(12)8-6-7(2)4-5-9(8)16-17(11,13)14;;/h4-6H,3H2,1-2H3,(H2,11,13,14);;/q;+1;-1.
What are the key properties of lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride?
lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride has a molecular weight of 267.23 g/mol, XLogP of -2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride is sourced from PubChem (CID 174205093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).