N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide

C13H13N5O2S — CID 62982874

IUPACN-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
SMILESCN(c1cccc(C#N)c1)S(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C13H13N5O2S/c1-18(11-4-2-3-10(7-11)9-14)21(19,20)12-5-6-16-13(8-12)17-15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyBBKUSJGLSGKVNA-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.06
Rot. Bonds4

About N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide

N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide (PubChem CID 62982874) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
PubChem CID62982874
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC NameN-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
SMILESCN(c1cccc(C#N)c1)S(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C13H13N5O2S/c1-18(11-4-2-3-10(7-11)9-14)21(19,20)12-5-6-16-13(8-12)17-15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyBBKUSJGLSGKVNA-UHFFFAOYSA-N
XLogP1.06
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide (CID 62982874) is N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide is CN(c1cccc(C#N)c1)S(=O)(=O)c1ccnc(NN)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
The InChIKey is BBKUSJGLSGKVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-18(11-4-2-3-10(7-11)9-14)21(19,20)12-5-6-16-13(8-12)17-15/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide?
N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 62982874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).