N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide

C10H7F3N2O3S2 — CID 21227276

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
SMILESO=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H7F3N2O3S2/c11-10(12,13)6-4-7(9(16)14-5-6)15-20(17,18)8-2-1-3-19-8/h1-5,15H,(H,14,16)
InChIKeyYRZHCGAWBKUMJQ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.26
Rot. Bonds3

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide (PubChem CID 21227276) has the molecular formula C10H7F3N2O3S2 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
PubChem CID21227276
Molecular FormulaC10H7F3N2O3S2
Molecular Weight324.31 g/mol
Exact Mass323.99
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
SMILESO=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H7F3N2O3S2/c11-10(12,13)6-4-7(9(16)14-5-6)15-20(17,18)8-2-1-3-19-8/h1-5,15H,(H,14,16)
InChIKeyYRZHCGAWBKUMJQ-UHFFFAOYSA-N
XLogP2.26
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide (CID 21227276) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide is O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The InChIKey is YRZHCGAWBKUMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S2/c11-10(12,13)6-4-7(9(16)14-5-6)15-20(17,18)8-2-1-3-19-8/h1-5,15H,(H,14,16).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide has a molecular weight of 324.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 21227276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).