N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide

C12H12N6O2S — CID 62269124

IUPACN-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)c2cnc(NN)nc2)cc1
InChIInChI=1S/C12H12N6O2S/c13-5-9-1-3-10(4-2-9)6-17-21(19,20)11-7-15-12(18-14)16-8-11/h1-4,7-8,17H,6,14H2,(H,15,16,18)
InChIKeyVYOAUJRKEVEFFZ-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.11
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide

N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 62269124) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID62269124
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)c2cnc(NN)nc2)cc1
InChIInChI=1S/C12H12N6O2S/c13-5-9-1-3-10(4-2-9)6-17-21(19,20)11-7-15-12(18-14)16-8-11/h1-4,7-8,17H,6,14H2,(H,15,16,18)
InChIKeyVYOAUJRKEVEFFZ-UHFFFAOYSA-N
XLogP0.11
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
CID 61328911
3-amino-N-[(4-cyanophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322839
[4-[[(4-cyanophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191393
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133346456
2-amino-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 61128052
5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 113397796
4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide
CID 61300772
2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
CID 63227725
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide (CID 62269124) is N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide is N#Cc1ccc(CNS(=O)(=O)c2cnc(NN)nc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is VYOAUJRKEVEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c13-5-9-1-3-10(4-2-9)6-17-21(19,20)11-7-15-12(18-14)16-8-11/h1-4,7-8,17H,6,14H2,(H,15,16,18).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 304.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62269124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).