4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid

C11H14N2O6S — CID 82921995

IUPAC4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
SMILESCN(C)C(=O)COc1ccc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C11H14N2O6S/c1-13(2)10(14)6-19-8-4-3-7(11(15)16)5-9(8)20(12,17)18/h3-5H,6H2,1-2H3,(H,15,16)(H2,12,17,18)
InChIKeyPLANOPZNQYPHRF-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.50
Rot. Bonds5

About 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid

4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid (PubChem CID 82921995) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
PubChem CID82921995
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
SMILESCN(C)C(=O)COc1ccc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C11H14N2O6S/c1-13(2)10(14)6-19-8-4-3-7(11(15)16)5-9(8)20(12,17)18/h3-5H,6H2,1-2H3,(H,15,16)(H2,12,17,18)
InChIKeyPLANOPZNQYPHRF-UHFFFAOYSA-N
XLogP-0.50
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylidenebutoxy)-3-sulfamoylbenzoic acid
CID 82921849
3-[2-(dimethylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60698832
4-but-2-ynoxy-3-sulfamoylbenzoic acid
CID 82921556
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
tert-butyl 4-ethoxy-3-sulfamoylbenzoate
CID 65380420
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
4-[(5-methyloxolan-2-yl)methoxy]-3-sulfamoylbenzoic acid
CID 103135622
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
4-(oxan-4-ylmethoxy)-3-sulfamoylbenzoic acid
CID 62386977
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
CID 65373100
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid (CID 82921995) is 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid is CN(C)C(=O)COc1ccc(C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid?
The InChIKey is PLANOPZNQYPHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-13(2)10(14)6-19-8-4-3-7(11(15)16)5-9(8)20(12,17)18/h3-5H,6H2,1-2H3,(H,15,16)(H2,12,17,18).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid?
4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid has a molecular weight of 302.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid is sourced from PubChem (CID 82921995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).