2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid

C12H16ClNO6S — CID 104654540

IUPAC2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
SMILESCOCCOCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H16ClNO6S/c1-19-6-7-20-5-4-14-21(17,18)9-2-3-10(12(15)16)11(13)8-9/h2-3,8,14H,4-7H2,1H3,(H,15,16)
InChIKeyZIZUMNOYRBRQBA-UHFFFAOYSA-N
MW337.78 g/mol
LogP0.98
Rot. Bonds9

About 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid

2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid (PubChem CID 104654540) has the molecular formula C12H16ClNO6S and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
PubChem CID104654540
Molecular FormulaC12H16ClNO6S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC Name2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
SMILESCOCCOCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H16ClNO6S/c1-19-6-7-20-5-4-14-21(17,18)9-2-3-10(12(15)16)11(13)8-9/h2-3,8,14H,4-7H2,1H3,(H,15,16)
InChIKeyZIZUMNOYRBRQBA-UHFFFAOYSA-N
XLogP0.98
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098
2-chloro-4-(2-ethylsulfinylethylsulfamoyl)benzoic acid
CID 107090287
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid (CID 104654540) is 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid is COCCOCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid?
The InChIKey is ZIZUMNOYRBRQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO6S/c1-19-6-7-20-5-4-14-21(17,18)9-2-3-10(12(15)16)11(13)8-9/h2-3,8,14H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid?
2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid has a molecular weight of 337.78 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 104654540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).