N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide

C11H9F4N3O2S2 — CID 133370930

IUPACN-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2c(F)c(F)nc(F)c2F)s1
InChIInChI=1S/C11H9F4N3O2S2/c1-16-22(19,20)6-3-2-5(21-6)4-17-9-7(12)10(14)18-11(15)8(9)13/h2-3,16H,4H2,1H3,(H,17,18)
InChIKeyKUBYOHRQQOCSJX-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide

N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide (PubChem CID 133370930) has the molecular formula C11H9F4N3O2S2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide
PubChem CID133370930
Molecular FormulaC11H9F4N3O2S2
Molecular Weight355.34 g/mol
Exact Mass355.01
IUPAC NameN-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNc2c(F)c(F)nc(F)c2F)s1
InChIInChI=1S/C11H9F4N3O2S2/c1-16-22(19,20)6-3-2-5(21-6)4-17-9-7(12)10(14)18-11(15)8(9)13/h2-3,16H,4H2,1H3,(H,17,18)
InChIKeyKUBYOHRQQOCSJX-UHFFFAOYSA-N
XLogP2.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide (CID 133370930) is N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide is CNS(=O)(=O)c1ccc(CNc2c(F)c(F)nc(F)c2F)s1.
What is the InChIKey of N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide?
The InChIKey is KUBYOHRQQOCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O2S2/c1-16-22(19,20)6-3-2-5(21-6)4-17-9-7(12)10(14)18-11(15)8(9)13/h2-3,16H,4H2,1H3,(H,17,18).
What are the key properties of N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide?
N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide has a molecular weight of 355.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133370930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).