3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide

C15H16N2O3S — CID 3163451

IUPAC3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-12-7-9-16-14(11-12)17-15(18)8-10-21(19,20)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18)
InChIKeyBZXRGSJJFAACGP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.19
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide

3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 3163451) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID3163451
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-12-7-9-16-14(11-12)17-15(18)8-10-21(19,20)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18)
InChIKeyBZXRGSJJFAACGP-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-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725117
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
N-(6-Methyl-pyridin-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163423
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
CID 24685891
N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 685128
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
N-[4-[(4-methylpyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 772016
3-(Benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine
CID 10341241
1-(3-Methylpyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 44579758
N-[4-[benzyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 1118249

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide (CID 3163451) is 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is BZXRGSJJFAACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-7-9-16-14(11-12)17-15(18)8-10-21(19,20)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(benzenesulfonyl)-N-(4-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-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 3163451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).