3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide

C15H16N2O3S — CID 3163455

IUPAC3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-12-6-5-9-14(16-12)17-15(18)10-11-21(19,20)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyVIIPBNHBAJJNNE-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.19
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide

3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 3163455) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID3163455
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-12-6-5-9-14(16-12)17-15(18)10-11-21(19,20)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyVIIPBNHBAJJNNE-UHFFFAOYSA-N
XLogP2.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Methyl-pyridin-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163423
N-(6-methyl-2-pyridinyl)-3-(2-thienyl)acrylamide
CID 903282
N-(6-methyl-2-pyridinyl)-2-(phenylmethyl)sulfonylacetamide
CID 1094087
N-(6-methyl-2-pyridinyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551631
2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
CID 974461
3-(benzenesulfonyl)-N-(4-methylpyridin-2-yl)propanamide
CID 3163451
3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide
CID 3163456
N-(6-methylpyridin-2-yl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238348
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 2470267
N-(6-methylpyridin-2-yl)-2-(thiophen-2-yl)acetamide
CID 670134
2-(benzenesulfonyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3160793
N-[4-(benzenesulfonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 134433739

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide (CID 3163455) is 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is VIIPBNHBAJJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-6-5-9-14(16-12)17-15(18)10-11-21(19,20)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide?
3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 3163455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).