3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide

C12H10Cl2N2O4S — CID 54724220

IUPAC3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide
SMILESCc1cc(O)cc(=O)n1-c1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4S/c1-6-2-7(17)3-11(18)16(6)12-9(13)4-8(5-10(12)14)21(15,19)20/h2-5,17H,1H3,(H2,15,19,20)
InChIKeyWOQVBQFAORGSFO-UHFFFAOYSA-N
MW349.20 g/mol
LogP1.81
Rot. Bonds2

About 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide

3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide (PubChem CID 54724220) has the molecular formula C12H10Cl2N2O4S and a molecular weight of 349.20 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide
PubChem CID54724220
Molecular FormulaC12H10Cl2N2O4S
Molecular Weight349.20 g/mol
Exact Mass347.97
IUPAC Name3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide
SMILESCc1cc(O)cc(=O)n1-c1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4S/c1-6-2-7(17)3-11(18)16(6)12-9(13)4-8(5-10(12)14)21(15,19)20/h2-5,17H,1H3,(H2,15,19,20)
InChIKeyWOQVBQFAORGSFO-UHFFFAOYSA-N
XLogP1.81
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide (CID 54724220) is 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide is Cc1cc(O)cc(=O)n1-c1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide?
The InChIKey is WOQVBQFAORGSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S/c1-6-2-7(17)3-11(18)16(6)12-9(13)4-8(5-10(12)14)21(15,19)20/h2-5,17H,1H3,(H2,15,19,20).
What are the key properties of 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide?
3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide has a molecular weight of 349.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 54724220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).