N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide

C15H18N2O3S — CID 61247679

IUPACN-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-14(12-6-4-11(2)5-7-12)17-21(19,20)13-8-9-15(18)16-10-13/h4-10,14,17H,3H2,1-2H3,(H,16,18)
InChIKeyIVGCZQJIOIIZMN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.11
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61247679) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61247679
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-14(12-6-4-11(2)5-7-12)17-21(19,20)13-8-9-15(18)16-10-13/h4-10,14,17H,3H2,1-2H3,(H,16,18)
InChIKeyIVGCZQJIOIIZMN-UHFFFAOYSA-N
XLogP2.11
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide
CID 164954176
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 61247679) is N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide is CCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is IVGCZQJIOIIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-14(12-6-4-11(2)5-7-12)17-21(19,20)13-8-9-15(18)16-10-13/h4-10,14,17H,3H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61247679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).