4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide

C13H23N3O2S — CID 82899326

IUPAC4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCCN(CC)c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C13H23N3O2S/c1-5-9-16(6-2)13-10-11(7-8-12(13)14)19(17,18)15(3)4/h7-8,10H,5-6,9,14H2,1-4H3
InChIKeyOBWCEFIXCRFVJX-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.76
Rot. Bonds6

About 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide

4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 82899326) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID82899326
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCCN(CC)c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C13H23N3O2S/c1-5-9-16(6-2)13-10-11(7-8-12(13)14)19(17,18)15(3)4/h7-8,10H,5-6,9,14H2,1-4H3
InChIKeyOBWCEFIXCRFVJX-UHFFFAOYSA-N
XLogP1.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide
CID 82900151
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
CID 82901534
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 82899999
4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide
CID 82898941

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide (CID 82899326) is 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide is CCCN(CC)c1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OBWCEFIXCRFVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-9-16(6-2)13-10-11(7-8-12(13)14)19(17,18)15(3)4/h7-8,10H,5-6,9,14H2,1-4H3.
What are the key properties of 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82899326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).