N,N',N'-triethylbenzenesulfonohydrazide

C12H20N2O2S — CID 173118176

IUPACN,N',N'-triethylbenzenesulfonohydrazide
SMILESCCN(CC)N(CC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-4-13(5-2)14(6-3)17(15,16)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyPBAXRPZLDQDKMY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.95
Rot. Bonds6

About N,N',N'-triethylbenzenesulfonohydrazide

N,N',N'-triethylbenzenesulfonohydrazide (PubChem CID 173118176) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N,N',N'-triethylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN,N',N'-triethylbenzenesulfonohydrazide
PubChem CID173118176
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN,N',N'-triethylbenzenesulfonohydrazide
SMILESCCN(CC)N(CC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-4-13(5-2)14(6-3)17(15,16)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyPBAXRPZLDQDKMY-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropylbenzenesulfonamide
CID 4053954
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
ethyltellanylsulfonylbenzene
CID 139679666
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 58597535

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethylbenzenesulfonohydrazide?
The IUPAC name of N,N',N'-triethylbenzenesulfonohydrazide (CID 173118176) is N,N',N'-triethylbenzenesulfonohydrazide.
What is the SMILES notation for N,N',N'-triethylbenzenesulfonohydrazide?
The canonical SMILES for N,N',N'-triethylbenzenesulfonohydrazide is CCN(CC)N(CC)S(=O)(=O)c1ccccc1.
What is the InChIKey of N,N',N'-triethylbenzenesulfonohydrazide?
The InChIKey is PBAXRPZLDQDKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-13(5-2)14(6-3)17(15,16)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of N,N',N'-triethylbenzenesulfonohydrazide?
N,N',N'-triethylbenzenesulfonohydrazide has a molecular weight of 256.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethylbenzenesulfonohydrazide is sourced from PubChem (CID 173118176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).