4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide

C10H17N3O3S — CID 82898644

IUPAC4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(C)CCO)c1
InChIInChI=1S/C10H17N3O3S/c1-12-17(15,16)8-3-4-9(11)10(7-8)13(2)5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyRVQDFYWOGRYYLE-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.39
Rot. Bonds5

About 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide

4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide (PubChem CID 82898644) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
PubChem CID82898644
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(C)CCO)c1
InChIInChI=1S/C10H17N3O3S/c1-12-17(15,16)8-3-4-9(11)10(7-8)13(2)5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyRVQDFYWOGRYYLE-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
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-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
CID 107197912
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 82899999
4-amino-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenesulfonamide
CID 82898113
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
4-amino-3-(2-hydroxyethylsulfanyl)-N-methylbenzenesulfonamide
CID 82901119
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
CID 82899371
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
4-amino-3-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 104711488
4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N-methylbenzenesulfonamide
CID 82901625

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide (CID 82898644) is 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(N(C)CCO)c1.
What is the InChIKey of 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is RVQDFYWOGRYYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-12-17(15,16)8-3-4-9(11)10(7-8)13(2)5-6-14/h3-4,7,12,14H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide?
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.39, 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-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 82898644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).