6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide

C16H18N2O5S — CID 67865997

IUPAC6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-11(2)23-14-5-7-15(8-6-14)24(21,22)18-16(20)12-3-4-13(10-19)17-9-12/h3-9,11,19H,10H2,1-2H3,(H,18,20)
InChIKeyZPDBKUPYCFPVFF-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.48
Rot. Bonds6

About 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide

6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide (PubChem CID 67865997) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
PubChem CID67865997
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-11(2)23-14-5-7-15(8-6-14)24(21,22)18-16(20)12-3-4-13(10-19)17-9-12/h3-9,11,19H,10H2,1-2H3,(H,18,20)
InChIKeyZPDBKUPYCFPVFF-UHFFFAOYSA-N
XLogP1.48
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
CID 67866037
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
CID 67866388
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
4-[[(4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzoic acid
CID 45477229
N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52636494
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 139634763
N-[3-(6-chlorohexylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634775

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide (CID 67865997) is 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide is CC(C)Oc1ccc(S(=O)(=O)NC(=O)c2ccc(CO)nc2)cc1.
What is the InChIKey of 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is ZPDBKUPYCFPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11(2)23-14-5-7-15(8-6-14)24(21,22)18-16(20)12-3-4-13(10-19)17-9-12/h3-9,11,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide?
6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 67865997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).