4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide

C13H23N3O2S — CID 82899686

IUPAC4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(C)CCC(C)C)c1
InChIInChI=1S/C13H23N3O2S/c1-10(2)7-8-16(4)13-9-11(5-6-12(13)14)19(17,18)15-3/h5-6,9-10,15H,7-8,14H2,1-4H3
InChIKeyLIWLSAJZVPCQEH-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.66
Rot. Bonds6

About 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide

4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide (PubChem CID 82899686) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
PubChem CID82899686
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(C)CCC(C)C)c1
InChIInChI=1S/C13H23N3O2S/c1-10(2)7-8-16(4)13-9-11(5-6-12(13)14)19(17,18)15-3/h5-6,9-10,15H,7-8,14H2,1-4H3
InChIKeyLIWLSAJZVPCQEH-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.66
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 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide (CID 82899686) is 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(N(C)CCC(C)C)c1.
What is the InChIKey of 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide?
The InChIKey is LIWLSAJZVPCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)7-8-16(4)13-9-11(5-6-12(13)14)19(17,18)15-3/h5-6,9-10,15H,7-8,14H2,1-4H3.
What are the key properties of 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide?
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide is sourced from PubChem (CID 82899686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).