N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide

C9H10ClFN2O2S — CID 81429639

IUPACN-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NC/C=C/CCl)c1cncc(F)c1
InChIInChI=1S/C9H10ClFN2O2S/c10-3-1-2-4-13-16(14,15)9-5-8(11)6-12-7-9/h1-2,5-7,13H,3-4H2/b2-1+
InChIKeyKWYDARATGFPRBV-OWOJBTEDSA-N
MW264.71 g/mol
LogP1.29
Rot. Bonds5

About N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide

N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide (PubChem CID 81429639) has the molecular formula C9H10ClFN2O2S and a molecular weight of 264.71 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
PubChem CID81429639
Molecular FormulaC9H10ClFN2O2S
Molecular Weight264.71 g/mol
Exact Mass264.01
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NC/C=C/CCl)c1cncc(F)c1
InChIInChI=1S/C9H10ClFN2O2S/c10-3-1-2-4-13-16(14,15)9-5-8(11)6-12-7-9/h1-2,5-7,13H,3-4H2/b2-1+
InChIKeyKWYDARATGFPRBV-OWOJBTEDSA-N
XLogP1.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide (CID 81429639) is N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide is O=S(=O)(NC/C=C/CCl)c1cncc(F)c1.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide?
The InChIKey is KWYDARATGFPRBV-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H10ClFN2O2S/c10-3-1-2-4-13-16(14,15)9-5-8(11)6-12-7-9/h1-2,5-7,13H,3-4H2/b2-1+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide?
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide has a molecular weight of 264.71 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 81429639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).