3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide

C11H19N3O3S — CID 43162681

IUPAC3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCOCCNc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C11H19N3O3S/c1-14(2)18(15,16)9-4-5-11(10(12)8-9)13-6-7-17-3/h4-5,8,13H,6-7,12H2,1-3H3
InChIKeyIEWQGGGBPMRPGU-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.58
Rot. Bonds6

About 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide

3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 43162681) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID43162681
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCOCCNc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C11H19N3O3S/c1-14(2)18(15,16)9-4-5-11(10(12)8-9)13-6-7-17-3/h4-5,8,13H,6-7,12H2,1-3H3
InChIKeyIEWQGGGBPMRPGU-UHFFFAOYSA-N
XLogP0.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
1-N-(2-methoxyethyl)-4-propan-2-ylsulfonylbenzene-1,2-diamine
CID 68870804
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 115358157
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
CID 106275246
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide (CID 43162681) is 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide is COCCNc1ccc(S(=O)(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is IEWQGGGBPMRPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(2)18(15,16)9-4-5-11(10(12)8-9)13-6-7-17-3/h4-5,8,13H,6-7,12H2,1-3H3.
What are the key properties of 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43162681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).