2-amino-4-(ethylamino)benzenesulfonamide

C8H13N3O2S — CID 79466329

IUPAC2-amino-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C8H13N3O2S/c1-2-11-6-3-4-8(7(9)5-6)14(10,12)13/h3-5,11H,2,9H2,1H3,(H2,10,12,13)
InChIKeyYWLOVBJBNQEVHB-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-4-(ethylamino)benzenesulfonamide

2-amino-4-(ethylamino)benzenesulfonamide (PubChem CID 79466329) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-amino-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(ethylamino)benzenesulfonamide
PubChem CID79466329
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-amino-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C8H13N3O2S/c1-2-11-6-3-4-8(7(9)5-6)14(10,12)13/h3-5,11H,2,9H2,1H3,(H2,10,12,13)
InChIKeyYWLOVBJBNQEVHB-UHFFFAOYSA-N
XLogP0.35
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
CID 79466378
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
2-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231585
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
CID 79466462
2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(ethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(ethylamino)benzenesulfonamide (CID 79466329) is 2-amino-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(ethylamino)benzenesulfonamide?
The InChIKey is YWLOVBJBNQEVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-11-6-3-4-8(7(9)5-6)14(10,12)13/h3-5,11H,2,9H2,1H3,(H2,10,12,13).
What are the key properties of 2-amino-4-(ethylamino)benzenesulfonamide?
2-amino-4-(ethylamino)benzenesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 79466329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).