5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide

C13H11Cl2FN2O2S — CID 64608562

IUPAC5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H11Cl2FN2O2S/c1-8(10-4-2-3-5-12(10)16)18-21(19,20)9-6-11(14)13(15)17-7-9/h2-8,18H,1H3
InChIKeyDLDLFVMOCCKDGW-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.57
Rot. Bonds4

About 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 64608562) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID64608562
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H11Cl2FN2O2S/c1-8(10-4-2-3-5-12(10)16)18-21(19,20)9-6-11(14)13(15)17-7-9/h2-8,18H,1H3
InChIKeyDLDLFVMOCCKDGW-UHFFFAOYSA-N
XLogP3.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.57
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

5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 115602456
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 64607266
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 64608562) is 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1F.
What is the InChIKey of 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is DLDLFVMOCCKDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c1-8(10-4-2-3-5-12(10)16)18-21(19,20)9-6-11(14)13(15)17-7-9/h2-8,18H,1H3.
What are the key properties of 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 349.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64608562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).