2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid

C13H15Cl2NO5S — CID 69321273

IUPAC2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO5S/c14-10-2-1-3-11(15)13(10)22(19,20)16(9-4-5-9)6-7-21-8-12(17)18/h1-3,9H,4-8H2,(H,17,18)
InChIKeyCKNRKVYXMNBNPG-UHFFFAOYSA-N
MW368.24 g/mol
LogP2.25
Rot. Bonds8

About 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid

2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 69321273) has the molecular formula C13H15Cl2NO5S and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid
PubChem CID69321273
Molecular FormulaC13H15Cl2NO5S
Molecular Weight368.24 g/mol
Exact Mass367.00
IUPAC Name2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid
SMILESO=C(O)COCCN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO5S/c14-10-2-1-3-11(15)13(10)22(19,20)16(9-4-5-9)6-7-21-8-12(17)18/h1-3,9H,4-8H2,(H,17,18)
InChIKeyCKNRKVYXMNBNPG-UHFFFAOYSA-N
XLogP2.25
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid (CID 69321273) is 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid is O=C(O)COCCN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is CKNRKVYXMNBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO5S/c14-10-2-1-3-11(15)13(10)22(19,20)16(9-4-5-9)6-7-21-8-12(17)18/h1-3,9H,4-8H2,(H,17,18).
What are the key properties of 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 368.24 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl-(2,6-dichlorophenyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 69321273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).