4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide

C13H19N5O2S — CID 107327911

IUPAC4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C13H19N5O2S/c1-10-7-12(17-14)8-11(2)13(10)21(19,20)16-4-6-18-5-3-15-9-18/h3,5,7-9,16-17H,4,6,14H2,1-2H3
InChIKeyZVHXFFJCRWDUKR-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.76
Rot. Bonds6

About 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide

4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107327911) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107327911
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C13H19N5O2S/c1-10-7-12(17-14)8-11(2)13(10)21(19,20)16-4-6-18-5-3-15-9-18/h3,5,7-9,16-17H,4,6,14H2,1-2H3
InChIKeyZVHXFFJCRWDUKR-UHFFFAOYSA-N
XLogP0.76
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
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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Related Compounds

4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106018151
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
4-hydrazinyl-2,6-dimethyl-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 107327963
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
4-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328062
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide (CID 107327911) is 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is ZVHXFFJCRWDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-7-12(17-14)8-11(2)13(10)21(19,20)16-4-6-18-5-3-15-9-18/h3,5,7-9,16-17H,4,6,14H2,1-2H3.
What are the key properties of 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide?
4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).