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

C10H15N3O4S — CID 62150565

IUPACN-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC)c1
InChIInChI=1S/C10H15N3O4S/c1-3-11-8-5-6-9(13(14)15)10(7-8)18(16,17)12-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKeyYMSKMVGVVZMRBX-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.32
Rot. Bonds6

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

N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide (PubChem CID 62150565) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
PubChem CID62150565
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC)c1
InChIInChI=1S/C10H15N3O4S/c1-3-11-8-5-6-9(13(14)15)10(7-8)18(16,17)12-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKeyYMSKMVGVVZMRBX-UHFFFAOYSA-N
XLogP1.32
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.32
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

5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001
5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62143932
4-(ethylamino)-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 62145300
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
4-(ethylamino)-2-nitrophenol
CID 57133971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide?
The IUPAC name of N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide (CID 62150565) is N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide is CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC)c1.
What is the InChIKey of N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide?
The InChIKey is YMSKMVGVVZMRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-3-11-8-5-6-9(13(14)15)10(7-8)18(16,17)12-4-2/h5-7,11-12H,3-4H2,1-2H3.
What are the key properties of N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide?
N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62150565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).