N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide

C15H17FN2O3S — CID 71810663

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cccnc1)c1ccccc1F
InChIInChI=1S/C15H17FN2O3S/c1-15(21-2,13-7-3-4-8-14(13)16)11-18-22(19,20)12-6-5-9-17-10-12/h3-10,18H,11H2,1-2H3
InChIKeyNDJVEIUEFGXCQN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide (PubChem CID 71810663) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide
PubChem CID71810663
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cccnc1)c1ccccc1F
InChIInChI=1S/C15H17FN2O3S/c1-15(21-2,13-7-3-4-8-14(13)16)11-18-22(19,20)12-6-5-9-17-10-12/h3-10,18H,11H2,1-2H3
InChIKeyNDJVEIUEFGXCQN-UHFFFAOYSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide (CID 71810663) is N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide is COC(C)(CNS(=O)(=O)c1cccnc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide?
The InChIKey is NDJVEIUEFGXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-15(21-2,13-7-3-4-8-14(13)16)11-18-22(19,20)12-6-5-9-17-10-12/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71810663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).