6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide

C16H16N2O5S — CID 166249229

IUPAC6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(C(=O)NC3COC3)cn2)cc1
InChIInChI=1S/C16H16N2O5S/c1-22-13-3-5-14(6-4-13)24(20,21)15-7-2-11(8-17-15)16(19)18-12-9-23-10-12/h2-8,12H,9-10H2,1H3,(H,18,19)
InChIKeyBJNPFMQCCQEXFO-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.05
Rot. Bonds5

About 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide

6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide (PubChem CID 166249229) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide
PubChem CID166249229
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(C(=O)NC3COC3)cn2)cc1
InChIInChI=1S/C16H16N2O5S/c1-22-13-3-5-14(6-4-13)24(20,21)15-7-2-11(8-17-15)16(19)18-12-9-23-10-12/h2-8,12H,9-10H2,1H3,(H,18,19)
InChIKeyBJNPFMQCCQEXFO-UHFFFAOYSA-N
XLogP1.05
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-6-(4-methoxyphenyl)sulfonylpyridine-3-carboxamide
CID 53073167
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710292
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855543
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
CID 143113216

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide (CID 166249229) is 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide is COc1ccc(S(=O)(=O)c2ccc(C(=O)NC3COC3)cn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide?
The InChIKey is BJNPFMQCCQEXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-13-3-5-14(6-4-13)24(20,21)15-7-2-11(8-17-15)16(19)18-12-9-23-10-12/h2-8,12H,9-10H2,1H3,(H,18,19).
What are the key properties of 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide?
6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfonyl-N-(oxetan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166249229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).