2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid

C9H9ClF3N3O4S — CID 166213924

IUPAC2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid
SMILESNc1ncc(Cl)cc1S(=O)(=O)NC(CC(F)(F)F)C(=O)O
InChIInChI=1S/C9H9ClF3N3O4S/c10-4-1-6(7(14)15-3-4)21(19,20)16-5(8(17)18)2-9(11,12)13/h1,3,5,16H,2H2,(H2,14,15)(H,17,18)
InChIKeyJOAILQIXYRFOQP-UHFFFAOYSA-N
MW347.70 g/mol
LogP1.00
Rot. Bonds5

About 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid

2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid (PubChem CID 166213924) has the molecular formula C9H9ClF3N3O4S and a molecular weight of 347.70 g/mol. Its IUPAC name is 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid
PubChem CID166213924
Molecular FormulaC9H9ClF3N3O4S
Molecular Weight347.70 g/mol
Exact Mass347.00
IUPAC Name2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid
SMILESNc1ncc(Cl)cc1S(=O)(=O)NC(CC(F)(F)F)C(=O)O
InChIInChI=1S/C9H9ClF3N3O4S/c10-4-1-6(7(14)15-3-4)21(19,20)16-5(8(17)18)2-9(11,12)13/h1,3,5,16H,2H2,(H2,14,15)(H,17,18)
InChIKeyJOAILQIXYRFOQP-UHFFFAOYSA-N
XLogP1.00
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid with MolForge

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Related Compounds

2-[(5-Chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid
CID 14670072
2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 75387454
6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64599919
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64599920
6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64600107
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64600108
5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64600109
5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64600303
6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64600311
5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 64600503
6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
CID 64600552
5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
CID 64600553

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid (CID 166213924) is 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid is Nc1ncc(Cl)cc1S(=O)(=O)NC(CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The InChIKey is JOAILQIXYRFOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O4S/c10-4-1-6(7(14)15-3-4)21(19,20)16-5(8(17)18)2-9(11,12)13/h1,3,5,16H,2H2,(H2,14,15)(H,17,18).
What are the key properties of 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid has a molecular weight of 347.70 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 166213924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).