2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide

C14H14ClFN2O2S — CID 61045211

IUPAC2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
SMILESCC(c1ccccc1F)N(C)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-10(12-5-3-4-6-13(12)16)18(2)21(19,20)11-7-8-17-14(15)9-11/h3-10H,1-2H3
InChIKeyHFMVGVOWDPWFSR-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.26
Rot. Bonds4

About 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide

2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide (PubChem CID 61045211) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
PubChem CID61045211
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
SMILESCC(c1ccccc1F)N(C)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-10(12-5-3-4-6-13(12)16)18(2)21(19,20)11-7-8-17-14(15)9-11/h3-10H,1-2H3
InChIKeyHFMVGVOWDPWFSR-UHFFFAOYSA-N
XLogP3.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide (CID 61045211) is 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide is CC(c1ccccc1F)N(C)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
The InChIKey is HFMVGVOWDPWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-10(12-5-3-4-6-13(12)16)18(2)21(19,20)11-7-8-17-14(15)9-11/h3-10H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide?
2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 61045211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).