N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide

C16H20N2O3S — CID 51092867

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C16H20N2O3S/c1-12(2)10-13-4-7-15(8-5-13)22(20,21)17-14-6-9-16(19)18(3)11-14/h4-9,11-12,17H,10H2,1-3H3
InChIKeyOTUKWVLRSNMXCY-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.38
Rot. Bonds5

About N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide

N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 51092867) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID51092867
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C16H20N2O3S/c1-12(2)10-13-4-7-15(8-5-13)22(20,21)17-14-6-9-16(19)18(3)11-14/h4-9,11-12,17H,10H2,1-3H3
InChIKeyOTUKWVLRSNMXCY-UHFFFAOYSA-N
XLogP2.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.38
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-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide (CID 51092867) is N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is OTUKWVLRSNMXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12(2)10-13-4-7-15(8-5-13)22(20,21)17-14-6-9-16(19)18(3)11-14/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.38, 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 51092867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).