5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide

C17H21N3O3S — CID 50795469

IUPAC5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-13(2)19-17(21)14-10-15(12-18-11-14)20(3)24(22,23)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,19,21)
InChIKeyVDUGBQXEQAJHRJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.43
Rot. Bonds6

About 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide

5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide (PubChem CID 50795469) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
PubChem CID50795469
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-13(2)19-17(21)14-10-15(12-18-11-14)20(3)24(22,23)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,19,21)
InChIKeyVDUGBQXEQAJHRJ-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795489
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide (CID 50795469) is 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(N(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The InChIKey is VDUGBQXEQAJHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-13(2)19-17(21)14-10-15(12-18-11-14)20(3)24(22,23)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,19,21).
What are the key properties of 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 50795469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).