2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide

C10H15N3O4S — CID 62148765

IUPAC2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H15N3O4S/c1-4-11-9-6-5-8(13(14)15)7-10(9)18(16,17)12(2)3/h5-7,11H,4H2,1-3H3
InChIKeyIHGYDPQWAJPUFX-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.28
Rot. Bonds5

About 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide

2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 62148765) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
PubChem CID62148765
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H15N3O4S/c1-4-11-9-6-5-8(13(14)15)7-10(9)18(16,17)12(2)3/h5-7,11H,4H2,1-3H3
InChIKeyIHGYDPQWAJPUFX-UHFFFAOYSA-N
XLogP1.28
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.28
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

2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62148796
2-(ethylamino)-N-methyl-4-nitro-N-propan-2-ylbenzenesulfonamide
CID 62150954
N,N-diethyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 60634187
2-(ethylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62149857
N-butyl-2-(ethylamino)-5-nitrobenzenesulfonamide
CID 62148698
N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18074536
N-(2,2-dimethylpropyl)-N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62153273
N-methyl-2-(methylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62146287
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
2-(hydroxymethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 162727781
N,N,2-trimethyl-4-nitrobenzenesulfonamide
CID 37477641
2-(methylamino)-5-nitro-N,N-dipropylbenzenesulfonamide
CID 62150589

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide (CID 62148765) is 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide is CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is IHGYDPQWAJPUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-4-11-9-6-5-8(13(14)15)7-10(9)18(16,17)12(2)3/h5-7,11H,4H2,1-3H3.
What are the key properties of 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide?
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62148765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).