4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide

C10H15N3O4S — CID 22012916

IUPAC4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide
SMILESCN(C)CCc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1
InChIInChI=1S/C10H15N3O4S/c1-12(2)8-7-9-3-5-10(6-4-9)18(16,17)11-13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKeyWAAAZQDQFLTMLH-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.26
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide

4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide (PubChem CID 22012916) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide
PubChem CID22012916
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide
SMILESCN(C)CCc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1
InChIInChI=1S/C10H15N3O4S/c1-12(2)8-7-9-3-5-10(6-4-9)18(16,17)11-13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKeyWAAAZQDQFLTMLH-UHFFFAOYSA-N
XLogP0.26
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
4-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)aniline
CID 133454506
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N',N'-dimethyl-N-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 4721334
2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
CID 101017326
4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 43244697
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide (CID 22012916) is 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide is CN(C)CCc1ccc(S(=O)(=O)N[N+](=O)[O-])cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide?
The InChIKey is WAAAZQDQFLTMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12(2)8-7-9-3-5-10(6-4-9)18(16,17)11-13(14)15/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide?
4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-nitrobenzenesulfonamide is sourced from PubChem (CID 22012916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).