2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid

C11H10Cl2FNO4S — CID 103087535

IUPAC2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H10Cl2FNO4S/c12-7-3-4-8(10(13)11(7)14)20(18,19)15(5-9(16)17)6-1-2-6/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyUITKDJJCEVGHAZ-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.37
Rot. Bonds5

About 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid

2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid (PubChem CID 103087535) has the molecular formula C11H10Cl2FNO4S and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
PubChem CID103087535
Molecular FormulaC11H10Cl2FNO4S
Molecular Weight342.18 g/mol
Exact Mass340.97
IUPAC Name2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H10Cl2FNO4S/c12-7-3-4-8(10(13)11(7)14)20(18,19)15(5-9(16)17)6-1-2-6/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyUITKDJJCEVGHAZ-UHFFFAOYSA-N
XLogP2.37
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid
CID 114269251
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99858909
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 54945012
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid (CID 103087535) is 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid?
The InChIKey is UITKDJJCEVGHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO4S/c12-7-3-4-8(10(13)11(7)14)20(18,19)15(5-9(16)17)6-1-2-6/h3-4,6H,1-2,5H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid has a molecular weight of 342.18 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 103087535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).