3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid

C11H16N2O5S — CID 114814467

IUPAC3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
SMILESCOCCNS(=O)(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O5S/c1-18-6-5-12-19(16,17)13-8-9-3-2-4-10(7-9)11(14)15/h2-4,7,12-13H,5-6,8H2,1H3,(H,14,15)
InChIKeyCUXXHKSHAHEQJF-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.04
Rot. Bonds8

About 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid

3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid (PubChem CID 114814467) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
PubChem CID114814467
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
SMILESCOCCNS(=O)(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O5S/c1-18-6-5-12-19(16,17)13-8-9-3-2-4-10(7-9)11(14)15/h2-4,7,12-13H,5-6,8H2,1H3,(H,14,15)
InChIKeyCUXXHKSHAHEQJF-UHFFFAOYSA-N
XLogP-0.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816930
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
3-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 103262891
2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
CID 114815339
4-[[[3-(2-methoxyethylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122031524
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
CID 43362438
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 106191012

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid?
The IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid (CID 114814467) is 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid is COCCNS(=O)(=O)NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid?
The InChIKey is CUXXHKSHAHEQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-18-6-5-12-19(16,17)13-8-9-3-2-4-10(7-9)11(14)15/h2-4,7,12-13H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid?
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid has a molecular weight of 288.32 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid is sourced from PubChem (CID 114814467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).