methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate

C16H18N2O7S — CID 21251115

IUPACmethyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(OC)c1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O7S/c1-22-10-5-7-11(8-6-10)26(20,21)18-14-12(16(19)25-4)9-13(23-2)17-15(14)24-3/h5-9,18H,1-4H3
InChIKeyNJPCPJHSVVIMPG-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.69
Rot. Bonds7

About methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate

methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate (PubChem CID 21251115) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
PubChem CID21251115
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Namemethyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(OC)c1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O7S/c1-22-10-5-7-11(8-6-10)26(20,21)18-14-12(16(19)25-4)9-13(23-2)17-15(14)24-3/h5-9,18H,1-4H3
InChIKeyNJPCPJHSVVIMPG-UHFFFAOYSA-N
XLogP1.69
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 54295788
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate
CID 157290509
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate (CID 21251115) is methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate is COC(=O)c1cc(OC)nc(OC)c1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
The InChIKey is NJPCPJHSVVIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c1-22-10-5-7-11(8-6-10)26(20,21)18-14-12(16(19)25-4)9-13(23-2)17-15(14)24-3/h5-9,18H,1-4H3.
What are the key properties of methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate?
methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate is sourced from PubChem (CID 21251115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).