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

C11H14ClNO5S — CID 55174298

IUPAC5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
SMILESCCOCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-2-18-5-6-19(16,17)13-10-4-3-8(12)7-9(10)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyQEIDOKGBKHAXPP-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.82
Rot. Bonds7

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

5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid (PubChem CID 55174298) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
PubChem CID55174298
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Name5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
SMILESCCOCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-2-18-5-6-19(16,17)13-10-4-3-8(12)7-9(10)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyQEIDOKGBKHAXPP-UHFFFAOYSA-N
XLogP1.82
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-ethoxyethylcarbamoylamino)benzoic acid
CID 61202362
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyethanesulfonamide
CID 81281029
5-(4-chlorophenyl)-2-(octylsulfonylamino)benzoic acid
CID 44608762
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245877
N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110420975
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
CID 82685131
methyl 2-(bromomethylsulfonylamino)-5-chlorobenzoate
CID 83085221
2-(2-methoxyethylsulfonylamino)-5-nitrobenzoic acid
CID 63110697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid (CID 55174298) is 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid is CCOCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid?
The InChIKey is QEIDOKGBKHAXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-2-18-5-6-19(16,17)13-10-4-3-8(12)7-9(10)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid?
5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid has a molecular weight of 307.76 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid is sourced from PubChem (CID 55174298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).