5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide

C13H23N3O2S — CID 79896553

IUPAC5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
SMILESCCN(CC(C)C)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H23N3O2S/c1-5-16(8-9(2)3)12-6-11(14)7-13(10(12)4)19(15,17)18/h6-7,9H,5,8,14H2,1-4H3,(H2,15,17,18)
InChIKeyLBTYTNGBTLNZEE-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide

5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79896553) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
PubChem CID79896553
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
SMILESCCN(CC(C)C)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H23N3O2S/c1-5-16(8-9(2)3)12-6-11(14)7-13(10(12)4)19(15,17)18/h6-7,9H,5,8,14H2,1-4H3,(H2,15,17,18)
InChIKeyLBTYTNGBTLNZEE-UHFFFAOYSA-N
XLogP1.71
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide (CID 79896553) is 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide is CCN(CC(C)C)c1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is LBTYTNGBTLNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-16(8-9(2)3)12-6-11(14)7-13(10(12)4)19(15,17)18/h6-7,9H,5,8,14H2,1-4H3,(H2,15,17,18).
What are the key properties of 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide?
5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).