2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide

C14H25N3O2S — CID 79466432

IUPAC2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
SMILESCC(C)CN(CC(C)C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C14H25N3O2S/c1-10(2)8-17(9-11(3)4)12-5-6-14(13(15)7-12)20(16,18)19/h5-7,10-11H,8-9,15H2,1-4H3,(H2,16,18,19)
InChIKeyFQEXIOQVGKJQQV-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide

2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide (PubChem CID 79466432) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
PubChem CID79466432
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
SMILESCC(C)CN(CC(C)C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C14H25N3O2S/c1-10(2)8-17(9-11(3)4)12-5-6-14(13(15)7-12)20(16,18)19/h5-7,10-11H,8-9,15H2,1-4H3,(H2,16,18,19)
InChIKeyFQEXIOQVGKJQQV-UHFFFAOYSA-N
XLogP2.03
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.03
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 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide (CID 79466432) is 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide is CC(C)CN(CC(C)C)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide?
The InChIKey is FQEXIOQVGKJQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)8-17(9-11(3)4)12-5-6-14(13(15)7-12)20(16,18)19/h5-7,10-11H,8-9,15H2,1-4H3,(H2,16,18,19).
What are the key properties of 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide?
2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 79466432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).