N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide

C12H13FN2O3S2 — CID 126815856

IUPACN-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC(C)c1ncccc1F
InChIInChI=1S/C12H13FN2O3S2/c1-8(11-9(13)4-3-6-14-11)15-20(16,17)12-10(18-2)5-7-19-12/h3-8,15H,1-2H3
InChIKeyULHNNGXOBOYJKN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.33
Rot. Bonds5

About N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide

N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide (PubChem CID 126815856) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide
PubChem CID126815856
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC(C)c1ncccc1F
InChIInChI=1S/C12H13FN2O3S2/c1-8(11-9(13)4-3-6-14-11)15-20(16,17)12-10(18-2)5-7-19-12/h3-8,15H,1-2H3
InChIKeyULHNNGXOBOYJKN-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide (CID 126815856) is N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NC(C)c1ncccc1F.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide?
The InChIKey is ULHNNGXOBOYJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c1-8(11-9(13)4-3-6-14-11)15-20(16,17)12-10(18-2)5-7-19-12/h3-8,15H,1-2H3.
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide?
N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)ethyl]-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 126815856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).