3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide

C8H10ClFN2O2S — CID 65482273

IUPAC3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc(F)cn1
InChIInChI=1S/C8H10ClFN2O2S/c9-4-1-5-15(13,14)12-8-3-2-7(10)6-11-8/h2-3,6H,1,4-5H2,(H,11,12)
InChIKeyAASYIFCXARVNME-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.59
Rot. Bonds5

About 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide

3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide (PubChem CID 65482273) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
PubChem CID65482273
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc(F)cn1
InChIInChI=1S/C8H10ClFN2O2S/c9-4-1-5-15(13,14)12-8-3-2-7(10)6-11-8/h2-3,6H,1,4-5H2,(H,11,12)
InChIKeyAASYIFCXARVNME-UHFFFAOYSA-N
XLogP1.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65481850
4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
CID 116815095
2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 112751598
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 65482643
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068756
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide (CID 65482273) is 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1ccc(F)cn1.
What is the InChIKey of 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
The InChIKey is AASYIFCXARVNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c9-4-1-5-15(13,14)12-8-3-2-7(10)6-11-8/h2-3,6H,1,4-5H2,(H,11,12).
What are the key properties of 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide?
3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide has a molecular weight of 252.70 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 65482273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).