N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide

C16H20N2O3S — CID 110730591

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C16H20N2O3S/c1-12(2)14-5-7-15(8-6-14)22(20,21)17-10-13-4-9-16(19)18(3)11-13/h4-9,11-12,17H,10H2,1-3H3
InChIKeyPIGBAWOITQYOSS-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.99
Rot. Bonds5

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 110730591) 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)methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID110730591
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C16H20N2O3S/c1-12(2)14-5-7-15(8-6-14)22(20,21)17-10-13-4-9-16(19)18(3)11-13/h4-9,11-12,17H,10H2,1-3H3
InChIKeyPIGBAWOITQYOSS-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110730602
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110405212
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730588
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110730616
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
1-(2-chlorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]methanesulfonamide
CID 110730618
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide (CID 110730591) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2ccc(=O)n(C)c2)cc1.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is PIGBAWOITQYOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12(2)14-5-7-15(8-6-14)22(20,21)17-10-13-4-9-16(19)18(3)11-13/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.99, 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)methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110730591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).