5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide

C13H23N3O2S — CID 103286581

IUPAC5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
SMILESCCCCN(CC)c1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O2S/c1-4-6-9-16(5-2)12-8-7-11(14)10-13(12)19(17,18)15-3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKeyDODJODJYOGLTTH-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.80
Rot. Bonds7

About 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide (PubChem CID 103286581) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
PubChem CID103286581
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
SMILESCCCCN(CC)c1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O2S/c1-4-6-9-16(5-2)12-8-7-11(14)10-13(12)19(17,18)15-3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKeyDODJODJYOGLTTH-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
5-amino-2-[2-cyanoethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286583
N-butyl-N-ethyl-2,4-bis(methylsulfonyl)aniline
CID 51284641
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902
1-N-ethyl-2-methyl-1-N-propylbenzene-1,4-diamine;methanesulfonamide
CID 70576933
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 63766633
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide (CID 103286581) is 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide is CCCCN(CC)c1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is DODJODJYOGLTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-6-9-16(5-2)12-8-7-11(14)10-13(12)19(17,18)15-3/h7-8,10,15H,4-6,9,14H2,1-3H3.
What are the key properties of 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).