2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide

C16H19N3O2S — CID 113023907

IUPAC2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(C)cc2C)nc1
InChIInChI=1S/C16H19N3O2S/c1-4-9-17-14-6-8-16(18-11-14)19-22(20,21)15-7-5-12(2)10-13(15)3/h4-8,10-11,17H,1,9H2,2-3H3,(H,18,19)
InChIKeyWNZOQJDXJPUTNJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.10
Rot. Bonds6

About 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide

2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113023907) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113023907
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(C)cc2C)nc1
InChIInChI=1S/C16H19N3O2S/c1-4-9-17-14-6-8-16(18-11-14)19-22(20,21)15-7-5-12(2)10-13(15)3/h4-8,10-11,17H,1,9H2,2-3H3,(H,18,19)
InChIKeyWNZOQJDXJPUTNJ-UHFFFAOYSA-N
XLogP3.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009406
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
3,5-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113023941
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920
N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113013339
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide (CID 113023907) is 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc(C)cc2C)nc1.
What is the InChIKey of 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is WNZOQJDXJPUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-4-9-17-14-6-8-16(18-11-14)19-22(20,21)15-7-5-12(2)10-13(15)3/h4-8,10-11,17H,1,9H2,2-3H3,(H,18,19).
What are the key properties of 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide?
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).