N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide

C9H12ClFN2O2S — CID 15729624

IUPACN-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide
SMILESCN(CCCCl)S(=O)(=O)c1cccc(F)n1
InChIInChI=1S/C9H12ClFN2O2S/c1-13(7-3-6-10)16(14,15)9-5-2-4-8(11)12-9/h2,4-5H,3,6-7H2,1H3
InChIKeyKOUZPXNCEYTBJZ-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.47
Rot. Bonds5

About N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide

N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide (PubChem CID 15729624) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide
PubChem CID15729624
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC NameN-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide
SMILESCN(CCCCl)S(=O)(=O)c1cccc(F)n1
InChIInChI=1S/C9H12ClFN2O2S/c1-13(7-3-6-10)16(14,15)9-5-2-4-8(11)12-9/h2,4-5H,3,6-7H2,1H3
InChIKeyKOUZPXNCEYTBJZ-UHFFFAOYSA-N
XLogP1.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide (CID 15729624) is N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide is CN(CCCCl)S(=O)(=O)c1cccc(F)n1.
What is the InChIKey of N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide?
The InChIKey is KOUZPXNCEYTBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c1-13(7-3-6-10)16(14,15)9-5-2-4-8(11)12-9/h2,4-5H,3,6-7H2,1H3.
What are the key properties of N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide?
N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide has a molecular weight of 266.72 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 15729624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).