4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide

C11H20N4O4S2 — CID 107327862

IUPAC4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-8-6-10(15-12)7-9(2)11(8)21(18,19)14-5-4-13-20(3,16)17/h6-7,13-15H,4-5,12H2,1-3H3
InChIKeyAHZYOKNAMGSEMB-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.58
Rot. Bonds7

About 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide

4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 107327862) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
PubChem CID107327862
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-8-6-10(15-12)7-9(2)11(8)21(18,19)14-5-4-13-20(3,16)17/h6-7,13-15H,4-5,12H2,1-3H3
InChIKeyAHZYOKNAMGSEMB-UHFFFAOYSA-N
XLogP-0.58
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-2,6-dimethyl-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 107327963
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107328053
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
CID 107327911
4-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328062
4-hydrazinyl-2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 107328146
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107327746
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide (CID 107327862) is 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is AHZYOKNAMGSEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-8-6-10(15-12)7-9(2)11(8)21(18,19)14-5-4-13-20(3,16)17/h6-7,13-15H,4-5,12H2,1-3H3.
What are the key properties of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide?
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).