2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide

C11H12N2O3S2 — CID 163593990

IUPAC2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c[nH]ccc2=O)c(C)s1
InChIInChI=1S/C11H12N2O3S2/c1-7-5-11(8(2)17-7)18(15,16)13-9-6-12-4-3-10(9)14/h3-6,13H,1-2H3,(H,12,14)
InChIKeyGRWHHVYGXAMMIK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds3

About 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide

2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide (PubChem CID 163593990) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide
PubChem CID163593990
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c[nH]ccc2=O)c(C)s1
InChIInChI=1S/C11H12N2O3S2/c1-7-5-11(8(2)17-7)18(15,16)13-9-6-12-4-3-10(9)14/h3-6,13H,1-2H3,(H,12,14)
InChIKeyGRWHHVYGXAMMIK-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
5-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
CID 47389535
5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-2-sulfonamide
CID 47389538
N-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64274869
N-methyl-4-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64275069
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 64275454
4-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64276201
N-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64276596
4-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64276793
N-[1-(5-methylthiophen-2-yl)ethyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 64276837
N-[(5-methylthiophen-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 64277229
4-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64277366

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide (CID 163593990) is 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2c[nH]ccc2=O)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide?
The InChIKey is GRWHHVYGXAMMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-7-5-11(8(2)17-7)18(15,16)13-9-6-12-4-3-10(9)14/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-oxo-1H-pyridin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 163593990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).