2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C24H36N2O2S — CID 20566512

IUPAC2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C24H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-19-24(22)29(27,28)26-21-23-18-14-15-20-25-23/h12-15,17-20,26H,2-11,16,21H2,1H3
InChIKeyOBFQCYAACRHNFK-UHFFFAOYSA-N
MW416.63 g/mol
LogP6.02
Rot. Bonds15

About 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 20566512) has the molecular formula C24H36N2O2S and a molecular weight of 416.63 g/mol. Its IUPAC name is 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID20566512
Molecular FormulaC24H36N2O2S
Molecular Weight416.63 g/mol
Exact Mass416.25
IUPAC Name2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C24H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-19-24(22)29(27,28)26-21-23-18-14-15-20-25-23/h12-15,17-20,26H,2-11,16,21H2,1H3
InChIKeyOBFQCYAACRHNFK-UHFFFAOYSA-N
XLogP6.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide
CID 70575325
2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
2-dodecylbenzenesulfonyl bromide
CID 175762421
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-undecylpyridine
CID 66882765
2-dodecylbenzenesulfonic acid;gadolinium
CID 174982312
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
2-docosylbenzenesulfonic acid
CID 14818387
lithium 2-dodecylbenzenesulfonic acid
CID 22564411

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 20566512) is 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCCCCCCCCCCCc1ccccc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OBFQCYAACRHNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-19-24(22)29(27,28)26-21-23-18-14-15-20-25-23/h12-15,17-20,26H,2-11,16,21H2,1H3.
What are the key properties of 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 416.63 g/mol, XLogP of 6.02, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20566512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).