6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

C13H13ClFN3O2S — CID 64606219

IUPAC6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H13ClFN3O2S/c14-12-7-11(8-17-13(12)16)21(19,20)18-6-5-9-1-3-10(15)4-2-9/h1-4,7-8,18H,5-6H2,(H2,16,17)
InChIKeyHJWBSIYPVRQVIJ-UHFFFAOYSA-N
MW329.78 g/mol
LogP1.98
Rot. Bonds5

About 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 64606219) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID64606219
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC Name6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H13ClFN3O2S/c14-12-7-11(8-17-13(12)16)21(19,20)18-6-5-9-1-3-10(15)4-2-9/h1-4,7-8,18H,5-6H2,(H2,16,17)
InChIKeyHJWBSIYPVRQVIJ-UHFFFAOYSA-N
XLogP1.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
CID 64602447
6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 64607542
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 64602641
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 63322099
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
6-amino-5-chloro-N-(4-ethylphenyl)pyridine-3-sulfonamide
CID 64608503
6-amino-5-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 64608125

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 64606219) is 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is HJWBSIYPVRQVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c14-12-7-11(8-17-13(12)16)21(19,20)18-6-5-9-1-3-10(15)4-2-9/h1-4,7-8,18H,5-6H2,(H2,16,17).
What are the key properties of 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 329.78 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).