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

C11H19N3O2S — CID 79466974

IUPAC2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
SMILESCCCN(CC)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H19N3O2S/c1-3-7-14(4-2)9-5-6-11(10(12)8-9)17(13,15)16/h5-6,8H,3-4,7,12H2,1-2H3,(H2,13,15,16)
InChIKeyPDLMNWJSMMNUAQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.15
Rot. Bonds5

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

2-amino-4-[ethyl(propyl)amino]benzenesulfonamide (PubChem CID 79466974) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
PubChem CID79466974
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
SMILESCCCN(CC)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H19N3O2S/c1-3-7-14(4-2)9-5-6-11(10(12)8-9)17(13,15)16/h5-6,8H,3-4,7,12H2,1-2H3,(H2,13,15,16)
InChIKeyPDLMNWJSMMNUAQ-UHFFFAOYSA-N
XLogP1.15
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.15
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

2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
2-(3-amino-N-ethyl-4-sulfamoylanilino)acetamide
CID 103101163
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
CID 79466847
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
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide
CID 79466499
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 79466601
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide
CID 79490684
1-N-benzyl-1-N-ethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831949

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide (CID 79466974) is 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide is CCCN(CC)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide?
The InChIKey is PDLMNWJSMMNUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-7-14(4-2)9-5-6-11(10(12)8-9)17(13,15)16/h5-6,8H,3-4,7,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide?
2-amino-4-[ethyl(propyl)amino]benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(propyl)amino]benzenesulfonamide is sourced from PubChem (CID 79466974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).