2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid

C10H12ClNO6S — CID 82706672

IUPAC2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
SMILESCOCCONS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H12ClNO6S/c1-17-4-5-18-12-19(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyRISNXASMRQNYMC-UHFFFAOYSA-N
MW309.73 g/mol
LogP0.89
Rot. Bonds7

About 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid

2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid (PubChem CID 82706672) has the molecular formula C10H12ClNO6S and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
PubChem CID82706672
Molecular FormulaC10H12ClNO6S
Molecular Weight309.73 g/mol
Exact Mass309.01
IUPAC Name2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
SMILESCOCCONS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H12ClNO6S/c1-17-4-5-18-12-19(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyRISNXASMRQNYMC-UHFFFAOYSA-N
XLogP0.89
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(2-methoxyethoxysulfamoyl)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-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82707336
2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 43141002
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid (CID 82706672) is 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid is COCCONS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid?
The InChIKey is RISNXASMRQNYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO6S/c1-17-4-5-18-12-19(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid?
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid has a molecular weight of 309.73 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid is sourced from PubChem (CID 82706672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).