N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide

C16H19N3O4S — CID 4780813

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12(11-23-2)19-24(21,22)14-8-6-13(7-9-14)18-16(20)15-5-3-4-10-17-15/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyPYIVPHJGLSBWMZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.65
Rot. Bonds7

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 4780813) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
PubChem CID4780813
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H19N3O4S/c1-12(11-23-2)19-24(21,22)14-8-6-13(7-9-14)18-16(20)15-5-3-4-10-17-15/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyPYIVPHJGLSBWMZ-UHFFFAOYSA-N
XLogP1.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9331832
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
CID 39948388
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 4985724
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide (CID 4780813) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is PYIVPHJGLSBWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12(11-23-2)19-24(21,22)14-8-6-13(7-9-14)18-16(20)15-5-3-4-10-17-15/h3-10,12,19H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 4780813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).