3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide

C13H22N2O2S — CID 43268301

IUPAC3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C13H22N2O2S/c1-5-7-15(6-2)18(16,17)12-8-10(3)11(4)13(14)9-12/h8-9H,5-7,14H2,1-4H3
InChIKeyJAZHCVKJNALUDR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.31
Rot. Bonds5

About 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide

3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide (PubChem CID 43268301) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
PubChem CID43268301
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C13H22N2O2S/c1-5-7-15(6-2)18(16,17)12-8-10(3)11(4)13(14)9-12/h8-9H,5-7,14H2,1-4H3
InChIKeyJAZHCVKJNALUDR-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581
3-amino-5-fluoro-4-methyl-N,N-dipropylbenzenesulfonamide
CID 116791316
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
3-amino-N,N-bis(cyanomethyl)-4,5-dimethylbenzenesulfonamide
CID 29277771
3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
CID 63322173
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide
CID 63695661
3-amino-N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 61138618
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,5-dimethylbenzenesulfonamide
CID 43577817
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide (CID 43268301) is 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is JAZHCVKJNALUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-7-15(6-2)18(16,17)12-8-10(3)11(4)13(14)9-12/h8-9H,5-7,14H2,1-4H3.
What are the key properties of 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide?
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43268301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).