2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide

C8H9ClF3N3O2S — CID 75387454

IUPAC2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C8H9ClF3N3O2S/c9-5-3-6(7(13)14-4-5)18(16,17)15-2-1-8(10,11)12/h3-4,15H,1-2H2,(H2,13,14)
InChIKeyFKDOCQPHLVABKK-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide

2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide (PubChem CID 75387454) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
PubChem CID75387454
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC Name2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Cl)cc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C8H9ClF3N3O2S/c9-5-3-6(7(13)14-4-5)18(16,17)15-2-1-8(10,11)12/h3-4,15H,1-2H2,(H2,13,14)
InChIKeyFKDOCQPHLVABKK-UHFFFAOYSA-N
XLogP1.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Aminopyridine-3-sulfonamide
CID 459534
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide
CID 388544
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
6-amino-N,N-dimethylpyridine-3-sulfonamide
CID 5267643
2-Amino-5-chloro-pyridine-3-sulfonic acid amide
CID 2779673
4-chloro-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 898366
2-(3-Chloroanilino)-3-pyridinesulfonamide
CID 902008
N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)methanesulfonamide
CID 3847361
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4851242

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide (CID 75387454) is 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide is Nc1ncc(Cl)cc1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
The InChIKey is FKDOCQPHLVABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c9-5-3-6(7(13)14-4-5)18(16,17)15-2-1-8(10,11)12/h3-4,15H,1-2H2,(H2,13,14).
What are the key properties of 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide has a molecular weight of 303.69 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75387454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).