3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one

C23H25NO6S — CID 146222359

IUPAC3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(S(=O)(=O)c2ccccc2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C23H25NO6S/c1-4-5-12-16-19(20-17(29-2)13-9-14-18(20)30-3)21(25)22(23(26)24-16)31(27,28)15-10-7-6-8-11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H2,24,25,26)
InChIKeyRDQVGRZONDVMSX-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.94
Rot. Bonds8

About 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one

3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one (PubChem CID 146222359) has the molecular formula C23H25NO6S and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
PubChem CID146222359
Molecular FormulaC23H25NO6S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC Name3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(S(=O)(=O)c2ccccc2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C23H25NO6S/c1-4-5-12-16-19(20-17(29-2)13-9-14-18(20)30-3)21(25)22(23(26)24-16)31(27,28)15-10-7-6-8-11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H2,24,25,26)
InChIKeyRDQVGRZONDVMSX-UHFFFAOYSA-N
XLogP3.94
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one (CID 146222359) is 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccccc2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is RDQVGRZONDVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6S/c1-4-5-12-16-19(20-17(29-2)13-9-14-18(20)30-3)21(25)22(23(26)24-16)31(27,28)15-10-7-6-8-11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H2,24,25,26).
What are the key properties of 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one?
3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one has a molecular weight of 443.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 146222359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).