2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide

C12H14N2O3S2 — CID 47072250

IUPAC2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(C)s1
InChIInChI=1S/C12H14N2O3S2/c1-8-6-11(9(2)18-8)19(16,17)13-10-4-5-12(15)14(3)7-10/h4-7,13H,1-3H3
InChIKeyPWQXUDGMSWBVOS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.86
Rot. Bonds3

About 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide

2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide (PubChem CID 47072250) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
PubChem CID47072250
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(C)s1
InChIInChI=1S/C12H14N2O3S2/c1-8-6-11(9(2)18-8)19(16,17)13-10-4-5-12(15)14(3)7-10/h4-7,13H,1-3H3
InChIKeyPWQXUDGMSWBVOS-UHFFFAOYSA-N
XLogP1.86
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide (CID 47072250) is 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is PWQXUDGMSWBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8-6-11(9(2)18-8)19(16,17)13-10-4-5-12(15)14(3)7-10/h4-7,13H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 47072250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).