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

C10H17N3O3S — CID 82899068

IUPAC4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCCO)c1
InChIInChI=1S/C10H17N3O3S/c1-13(2)17(15,16)8-3-4-9(11)10(7-8)12-5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyZONYVIFVRGWNPU-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.08
Rot. Bonds5

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

4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 82899068) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID82899068
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCCO)c1
InChIInChI=1S/C10H17N3O3S/c1-13(2)17(15,16)8-3-4-9(11)10(7-8)12-5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyZONYVIFVRGWNPU-UHFFFAOYSA-N
XLogP-0.08
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-amino-3-(1H-imidazol-2-ylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82901093
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide (CID 82899068) is 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(NCCO)c1.
What is the InChIKey of 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZONYVIFVRGWNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13(2)17(15,16)8-3-4-9(11)10(7-8)12-5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide?
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82899068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).