4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide

C10H15N3O5S — CID 55065259

IUPAC4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H15N3O5S/c1-12(2)19(16,17)8-3-4-10(18-6-5-11)9(7-8)13(14)15/h3-4,7H,5-6,11H2,1-2H3
InChIKeyRROPJSGNFSQBMA-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.18
Rot. Bonds6

About 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide

4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide (PubChem CID 55065259) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide
PubChem CID55065259
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H15N3O5S/c1-12(2)19(16,17)8-3-4-10(18-6-5-11)9(7-8)13(14)15/h3-4,7H,5-6,11H2,1-2H3
InChIKeyRROPJSGNFSQBMA-UHFFFAOYSA-N
XLogP0.18
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
6-(4-methylsulfonyl-2-nitrophenoxy)hexan-1-amine
CID 167530155
N,N-diethyl-3-nitro-4-(3-oxobutoxy)benzenesulfonamide
CID 7569788
4-(2-aminoethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 43162671
2-(2,3-dimethyl-4-nitrophenoxy)ethanamine
CID 82673085
4-(3-methylsulfanylpropoxy)-3-nitrobenzenesulfonamide
CID 67227511
N,N-diethyl-3-nitro-4-(2-phenoxyethoxy)benzenesulfonamide
CID 7642713
4-(2-aminoethoxy)-3-nitrobenzoic acid
CID 69332360
N,N-diethyl-4-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 7680375
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide (CID 55065259) is 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide?
The InChIKey is RROPJSGNFSQBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-12(2)19(16,17)8-3-4-10(18-6-5-11)9(7-8)13(14)15/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide?
4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide has a molecular weight of 289.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N,N-dimethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 55065259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).