2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide

C15H19N3O2S — CID 79466847

IUPAC2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C15H19N3O2S/c1-2-18(11-12-6-4-3-5-7-12)13-8-9-15(14(16)10-13)21(17,19)20/h3-10H,2,11,16H2,1H3,(H2,17,19,20)
InChIKeyZAHCFQMJDBIZMG-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.94
Rot. Bonds5

About 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide

2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide (PubChem CID 79466847) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
PubChem CID79466847
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C15H19N3O2S/c1-2-18(11-12-6-4-3-5-7-12)13-8-9-15(14(16)10-13)21(17,19)20/h3-10H,2,11,16H2,1H3,(H2,17,19,20)
InChIKeyZAHCFQMJDBIZMG-UHFFFAOYSA-N
XLogP1.94
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzyl-1-N-ethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831949
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
CID 79466974
1-N-benzyl-1-N-ethyl-4-nitrobenzene-1,3-diamine
CID 106751418
2-(3-amino-N-ethyl-4-sulfamoylanilino)acetamide
CID 103101163
2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
CID 107397185
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
CID 79466432
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
4-[(4-aminophenyl)methyl-ethylamino]benzenesulfonamide
CID 60875699
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 79466601

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide (CID 79466847) is 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide is CCN(Cc1ccccc1)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide?
The InChIKey is ZAHCFQMJDBIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-18(11-12-6-4-3-5-7-12)13-8-9-15(14(16)10-13)21(17,19)20/h3-10H,2,11,16H2,1H3,(H2,17,19,20).
What are the key properties of 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide?
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide is sourced from PubChem (CID 79466847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).