2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide

C23H35N3O2S — CID 70575325

IUPAC2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NNc1ccccn1
InChIInChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-8-9-10-11-16-21-17-12-13-18-22(21)29(27,28)26-25-23-19-14-15-20-24-23/h12-15,17-20,26H,2-11,16H2,1H3,(H,24,25)
InChIKeyWMDYVJUJRPRVPD-UHFFFAOYSA-N
MW417.62 g/mol
LogP5.85
Rot. Bonds15

About 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide

2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide (PubChem CID 70575325) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide
PubChem CID70575325
Molecular FormulaC23H35N3O2S
Molecular Weight417.62 g/mol
Exact Mass417.24
IUPAC Name2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NNc1ccccn1
InChIInChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-8-9-10-11-16-21-17-12-13-18-22(21)29(27,28)26-25-23-19-14-15-20-24-23/h12-15,17-20,26H,2-11,16H2,1H3,(H,24,25)
InChIKeyWMDYVJUJRPRVPD-UHFFFAOYSA-N
XLogP5.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20566512
2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-dodecylbenzenesulfonic acid;gadolinium
CID 174982312
2-nonylbenzenesulfonamide
CID 70447042
2-dodecylbenzenesulfonyl bromide
CID 175762421
lithium 2-dodecylbenzenesulfonic acid
CID 22564411
2-docosylbenzenesulfonic acid
CID 14818387
antimony(3+);tris(2-dodecylbenzenesulfonate)
CID 23463604
magnesium bis(2-tetracontylbenzenesulfonate)
CID 101306554
bis(2-hexylbenzenesulfonate);iron(2+)
CID 88621063
sodium 2-tridecylbenzenesulfonate
CID 23699607

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide?
The IUPAC name of 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide (CID 70575325) is 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide.
What is the SMILES notation for 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide?
The canonical SMILES for 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide is CCCCCCCCCCCCc1ccccc1S(=O)(=O)NNc1ccccn1.
What is the InChIKey of 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide?
The InChIKey is WMDYVJUJRPRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-8-9-10-11-16-21-17-12-13-18-22(21)29(27,28)26-25-23-19-14-15-20-24-23/h12-15,17-20,26H,2-11,16H2,1H3,(H,24,25).
What are the key properties of 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide?
2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide has a molecular weight of 417.62 g/mol, XLogP of 5.85, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N'-pyridin-2-ylbenzenesulfonohydrazide is sourced from PubChem (CID 70575325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).