N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide

C11H19N3O4S2 — CID 71945599

IUPACN-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NN)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-7-6-8(2)11(20(17,18)13-12)9(3)10(7)14(4)19(5,15)16/h6,13H,12H2,1-5H3
InChIKeyQIETWUPJGJXONX-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.16
Rot. Bonds4

About N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide

N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide (PubChem CID 71945599) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide
PubChem CID71945599
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NN)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-7-6-8(2)11(20(17,18)13-12)9(3)10(7)14(4)19(5,15)16/h6,13H,12H2,1-5H3
InChIKeyQIETWUPJGJXONX-UHFFFAOYSA-N
XLogP0.16
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.16
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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Related Compounds

2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 16805338
N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 16805346
2,6-dimethyl-4-nitrobenzenesulfonohydrazide
CID 70663598
N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 18592812
2,4,6-trifluorobenzenesulfonohydrazide
CID 60971581
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
4-[[2,4-dimethyl-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]butanoate
CID 7730632
N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide
CID 166647420
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
2,6-dichloro-4-fluorobenzenesulfonohydrazide
CID 171367534
2,3-dimethylbenzenesulfonohydrazide
CID 139669307
3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333290

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide (CID 71945599) is N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide is Cc1cc(C)c(S(=O)(=O)NN)c(C)c1N(C)S(C)(=O)=O.
What is the InChIKey of N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide?
The InChIKey is QIETWUPJGJXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-7-6-8(2)11(20(17,18)13-12)9(3)10(7)14(4)19(5,15)16/h6,13H,12H2,1-5H3.
What are the key properties of N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide?
N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71945599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).