5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide

C12H19N3O4S — CID 62150204

IUPAC5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C12H19N3O4S/c1-4-13-10-5-6-11(15(16)17)12(7-10)20(18,19)14-8-9(2)3/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyAPEJDVNOKKVBMO-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.96
Rot. Bonds7

About 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide

5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide (PubChem CID 62150204) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
PubChem CID62150204
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C12H19N3O4S/c1-4-13-10-5-6-11(15(16)17)12(7-10)20(18,19)14-8-9(2)3/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyAPEJDVNOKKVBMO-UHFFFAOYSA-N
XLogP1.96
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
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-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
N-(2-methylpropyl)-4-nitro-3-(propylamino)benzenesulfonamide
CID 82845990
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide (CID 62150204) is 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide is CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)C)c1.
What is the InChIKey of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide?
The InChIKey is APEJDVNOKKVBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-13-10-5-6-11(15(16)17)12(7-10)20(18,19)14-8-9(2)3/h5-7,9,13-14H,4,8H2,1-3H3.
What are the key properties of 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide?
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62150204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).