2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide

C9H9ClF3N3O3S — CID 126822944

IUPAC2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C9H9ClF3N3O3S/c1-4(8(14)17)16-20(18,19)5-2-6(9(11,12)13)7(10)15-3-5/h2-4,16H,1H3,(H2,14,17)
InChIKeyKJPSFGPAVGYYCW-UHFFFAOYSA-N
MW331.70 g/mol
LogP0.91
Rot. Bonds4

About 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide

2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide (PubChem CID 126822944) has the molecular formula C9H9ClF3N3O3S and a molecular weight of 331.70 g/mol. Its IUPAC name is 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide
PubChem CID126822944
Molecular FormulaC9H9ClF3N3O3S
Molecular Weight331.70 g/mol
Exact Mass331.00
IUPAC Name2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C9H9ClF3N3O3S/c1-4(8(14)17)16-20(18,19)5-2-6(9(11,12)13)7(10)15-3-5/h2-4,16H,1H3,(H2,14,17)
InChIKeyKJPSFGPAVGYYCW-UHFFFAOYSA-N
XLogP0.91
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]propanamide
CID 64607030
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 3270164
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
2-[[6-(ethylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62147681
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide
CID 94501214
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
methyl 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 3863990
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 40811378
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289
(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110304375

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide?
The IUPAC name of 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide (CID 126822944) is 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide.
What is the SMILES notation for 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide?
The canonical SMILES for 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide is CC(NS(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide?
The InChIKey is KJPSFGPAVGYYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O3S/c1-4(8(14)17)16-20(18,19)5-2-6(9(11,12)13)7(10)15-3-5/h2-4,16H,1H3,(H2,14,17).
What are the key properties of 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide?
2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide has a molecular weight of 331.70 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide is sourced from PubChem (CID 126822944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).