N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide

C15H18FN3O2S — CID 5043630

IUPACN-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C15H18FN3O2S/c1-19(2)15(12-4-3-9-17-10-12)11-18-22(20,21)14-7-5-13(16)6-8-14/h3-10,15,18H,11H2,1-2H3
InChIKeyVLXVKQJXHDBXOC-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide

N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide (PubChem CID 5043630) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide
PubChem CID5043630
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C15H18FN3O2S/c1-19(2)15(12-4-3-9-17-10-12)11-18-22(20,21)14-7-5-13(16)6-8-14/h3-10,15,18H,11H2,1-2H3
InChIKeyVLXVKQJXHDBXOC-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide (CID 5043630) is N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is VLXVKQJXHDBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-19(2)15(12-4-3-9-17-10-12)11-18-22(20,21)14-7-5-13(16)6-8-14/h3-10,15,18H,11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide?
N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 5043630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).