N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide

C15H16N2O3S — CID 60873792

IUPACN-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ncccc2C)c1
InChIInChI=1S/C15H16N2O3S/c1-3-14(18)12-7-4-8-13(10-12)21(19,20)17-15-11(2)6-5-9-16-15/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyNCTWHZASYLWWDC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.78
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide

N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide (PubChem CID 60873792) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
PubChem CID60873792
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ncccc2C)c1
InChIInChI=1S/C15H16N2O3S/c1-3-14(18)12-7-4-8-13(10-12)21(19,20)17-15-11(2)6-5-9-16-15/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyNCTWHZASYLWWDC-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
CID 122157515
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
CID 77082477
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392
3-propanoylbenzenesulfonic acid
CID 148597255

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide (CID 60873792) is N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)Nc2ncccc2C)c1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide?
The InChIKey is NCTWHZASYLWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-14(18)12-7-4-8-13(10-12)21(19,20)17-15-11(2)6-5-9-16-15/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide?
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 60873792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).