3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid

C12H17NO5S — CID 61384452

IUPAC3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
SMILESCCN(CCOC)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H17NO5S/c1-3-13(7-8-18-2)19(16,17)11-6-4-5-10(9-11)12(14)15/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyYDKWCBPPPGFBRR-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.04
Rot. Bonds7

About 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid

3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid (PubChem CID 61384452) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
PubChem CID61384452
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
SMILESCCN(CCOC)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H17NO5S/c1-3-13(7-8-18-2)19(16,17)11-6-4-5-10(9-11)12(14)15/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyYDKWCBPPPGFBRR-UHFFFAOYSA-N
XLogP1.04
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
3-[2-cyanoethyl(ethyl)sulfamoyl]benzoic acid
CID 54876671
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 174560677
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid (CID 61384452) is 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid is CCN(CCOC)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid?
The InChIKey is YDKWCBPPPGFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-3-13(7-8-18-2)19(16,17)11-6-4-5-10(9-11)12(14)15/h4-6,9H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid?
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 61384452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).