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

C13H19NO6S — CID 2119389

IUPAC3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-19-8-6-14(7-9-20-2)21(17,18)12-5-3-4-11(10-12)13(15)16/h3-5,10H,6-9H2,1-2H3,(H,15,16)
InChIKeySWDHUAAHZSDXPZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP0.67
Rot. Bonds9

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

3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid (PubChem CID 2119389) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
PubChem CID2119389
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-19-8-6-14(7-9-20-2)21(17,18)12-5-3-4-11(10-12)13(15)16/h3-5,10H,6-9H2,1-2H3,(H,15,16)
InChIKeySWDHUAAHZSDXPZ-UHFFFAOYSA-N
XLogP0.67
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 4849210
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
CID 8001344
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
3-[3-(2-methoxyethoxy)propylsulfonyl]benzoic acid
CID 103409876
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489
3-[2-cyanoethyl(ethyl)sulfamoyl]benzoic acid
CID 54876671

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid (CID 2119389) is 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid is COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid?
The InChIKey is SWDHUAAHZSDXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-19-8-6-14(7-9-20-2)21(17,18)12-5-3-4-11(10-12)13(15)16/h3-5,10H,6-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid?
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid has a molecular weight of 317.36 g/mol, XLogP of 0.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2119389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).