N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide

C15H18N2O3S — CID 47072246

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-4-12-5-8-14(9-6-12)21(19,20)16-13-7-10-15(18)17(2)11-13/h5-11,16H,3-4H2,1-2H3
InChIKeyYMDVNKXTLVPMGP-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.14
Rot. Bonds5

About N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide

N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide (PubChem CID 47072246) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide
PubChem CID47072246
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-4-12-5-8-14(9-6-12)21(19,20)16-13-7-10-15(18)17(2)11-13/h5-11,16H,3-4H2,1-2H3
InChIKeyYMDVNKXTLVPMGP-UHFFFAOYSA-N
XLogP2.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide (CID 47072246) is N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide?
The InChIKey is YMDVNKXTLVPMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-4-12-5-8-14(9-6-12)21(19,20)16-13-7-10-15(18)17(2)11-13/h5-11,16H,3-4H2,1-2H3.
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 47072246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).