4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide

C15H18N2O3S — CID 60530993

IUPAC4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ccccc2=O)cc1
InChIInChI=1S/C15H18N2O3S/c1-13-6-8-14(9-7-13)21(19,20)16-10-4-12-17-11-3-2-5-15(17)18/h2-3,5-9,11,16H,4,10,12H2,1H3
InChIKeyMNSZUPVFRHDPBZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.53
Rot. Bonds6

About 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide

4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide (PubChem CID 60530993) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
PubChem CID60530993
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ccccc2=O)cc1
InChIInChI=1S/C15H18N2O3S/c1-13-6-8-14(9-7-13)21(19,20)16-10-4-12-17-11-3-2-5-15(17)18/h2-3,5-9,11,16H,4,10,12H2,1H3
InChIKeyMNSZUPVFRHDPBZ-UHFFFAOYSA-N
XLogP1.53
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide
CID 86790643
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide (CID 60530993) is 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCn2ccccc2=O)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide?
The InChIKey is MNSZUPVFRHDPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-13-6-8-14(9-7-13)21(19,20)16-10-4-12-17-11-3-2-5-15(17)18/h2-3,5-9,11,16H,4,10,12H2,1H3.
What are the key properties of 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide?
4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide is sourced from PubChem (CID 60530993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).