5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide

C10H16N4O4S — CID 83023600

IUPAC5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C10H16N4O4S/c1-4-11-8-5-6-9(14(15)16)10(7-8)19(17,18)12-13(2)3/h5-7,11-12H,4H2,1-3H3
InChIKeyIBBXZABSTZQOGA-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.78
Rot. Bonds6

About 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide

5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide (PubChem CID 83023600) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound Name5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
PubChem CID83023600
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C10H16N4O4S/c1-4-11-8-5-6-9(14(15)16)10(7-8)19(17,18)12-13(2)3/h5-7,11-12H,4H2,1-3H3
InChIKeyIBBXZABSTZQOGA-UHFFFAOYSA-N
XLogP0.78
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62143932
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 62143928
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-ethyl-N-methyl-2-nitro-5-(propylamino)benzenesulfonamide
CID 62142898
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
4-(ethylamino)-2-nitrophenol
CID 57133971
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
The IUPAC name of 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide (CID 83023600) is 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide.
What is the SMILES notation for 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
The canonical SMILES for 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide is CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN(C)C)c1.
What is the InChIKey of 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
The InChIKey is IBBXZABSTZQOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-4-11-8-5-6-9(14(15)16)10(7-8)19(17,18)12-13(2)3/h5-7,11-12H,4H2,1-3H3.
What are the key properties of 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide has a molecular weight of 288.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 83023600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).