2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide

C13H11ClF2N2O2S — CID 62615784

IUPAC2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NCCc1cc(F)cc(F)c1)c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClF2N2O2S/c14-13-8-12(2-3-17-13)21(19,20)18-4-1-9-5-10(15)7-11(16)6-9/h2-3,5-8,18H,1,4H2
InChIKeyUNDZOHJSBUMAOI-UHFFFAOYSA-N
MW332.76 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide

2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide (PubChem CID 62615784) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
PubChem CID62615784
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NCCc1cc(F)cc(F)c1)c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClF2N2O2S/c14-13-8-12(2-3-17-13)21(19,20)18-4-1-9-5-10(15)7-11(16)6-9/h2-3,5-8,18H,1,4H2
InChIKeyUNDZOHJSBUMAOI-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide (CID 62615784) is 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide is O=S(=O)(NCCc1cc(F)cc(F)c1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide?
The InChIKey is UNDZOHJSBUMAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c14-13-8-12(2-3-17-13)21(19,20)18-4-1-9-5-10(15)7-11(16)6-9/h2-3,5-8,18H,1,4H2.
What are the key properties of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide?
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide has a molecular weight of 332.76 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 62615784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).