N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide

C21H20N2O6S — CID 22332355

IUPACN-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H20N2O6S/c1-27-17-8-6-16(7-9-17)23(21(24)15-5-4-12-22-14-15)30(25,26)18-10-11-19(28-2)20(13-18)29-3/h4-14H,1-3H3
InChIKeyQVFXHOJICAWFDJ-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.14
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 22332355) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID22332355
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC NameN-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H20N2O6S/c1-27-17-8-6-16(7-9-17)23(21(24)15-5-4-12-22-14-15)30(25,26)18-10-11-19(28-2)20(13-18)29-3/h4-14H,1-3H3
InChIKeyQVFXHOJICAWFDJ-UHFFFAOYSA-N
XLogP3.14
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 22332355) is N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is QVFXHOJICAWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-27-17-8-6-16(7-9-17)23(21(24)15-5-4-12-22-14-15)30(25,26)18-10-11-19(28-2)20(13-18)29-3/h4-14H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 22332355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).