2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide

C14H18N4O2S — CID 61411825

IUPAC2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2ccnc(NN)c2)c1
InChIInChI=1S/C14H18N4O2S/c1-11-4-3-5-12(8-11)10-18(2)21(19,20)13-6-7-16-14(9-13)17-15/h3-9H,10,15H2,1-2H3,(H,16,17)
InChIKeyAWPHCYNPRLCGAL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.50
Rot. Bonds5

About 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide

2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide (PubChem CID 61411825) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide
PubChem CID61411825
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2ccnc(NN)c2)c1
InChIInChI=1S/C14H18N4O2S/c1-11-4-3-5-12(8-11)10-18(2)21(19,20)13-6-7-16-14(9-13)17-15/h3-9H,10,15H2,1-2H3,(H,16,17)
InChIKeyAWPHCYNPRLCGAL-UHFFFAOYSA-N
XLogP1.50
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide (CID 61411825) is 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide is Cc1cccc(CN(C)S(=O)(=O)c2ccnc(NN)c2)c1.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide?
The InChIKey is AWPHCYNPRLCGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11-4-3-5-12(8-11)10-18(2)21(19,20)13-6-7-16-14(9-13)17-15/h3-9H,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide?
2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61411825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).