N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide

C11H17N3O4S — CID 62143928

IUPACN-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)CC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O4S/c1-4-12-9-6-7-11(10(8-9)14(15)16)19(17,18)13(3)5-2/h6-8,12H,4-5H2,1-3H3
InChIKeyZDTAUYLHWIUNRE-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.67
Rot. Bonds6

About N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide

N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 62143928) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
PubChem CID62143928
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)CC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O4S/c1-4-12-9-6-7-11(10(8-9)14(15)16)19(17,18)13(3)5-2/h6-8,12H,4-5H2,1-3H3
InChIKeyZDTAUYLHWIUNRE-UHFFFAOYSA-N
XLogP1.67
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 62146185
N-ethyl-N-methyl-2-nitro-5-(propylamino)benzenesulfonamide
CID 62142898
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
4-(ethylamino)-2-nitrophenol
CID 57133971
N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
N-(2-cyanoethyl)-N-ethyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62157752
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62143932
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
4-(ethylamino)-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 62145300
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide (CID 62143928) is N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)CC)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is ZDTAUYLHWIUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-4-12-9-6-7-11(10(8-9)14(15)16)19(17,18)13(3)5-2/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide?
N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62143928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).