2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide

C11H19N3O2S — CID 79466680

IUPAC2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
SMILESCCC(C)(C)Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,3)14-8-5-6-10(9(12)7-8)17(13,15)16/h5-7,14H,4,12H2,1-3H3,(H2,13,15,16)
InChIKeyNWDHGFXNASCYRM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide

2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide (PubChem CID 79466680) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
PubChem CID79466680
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
SMILESCCC(C)(C)Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,3)14-8-5-6-10(9(12)7-8)17(13,15)16/h5-7,14H,4,12H2,1-3H3,(H2,13,15,16)
InChIKeyNWDHGFXNASCYRM-UHFFFAOYSA-N
XLogP1.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
CID 79466378
2-(3-amino-4-sulfamoylanilino)-2-methylpropanamide
CID 79467145
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
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
2-amino-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenesulfonamide
CID 79466462

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide (CID 79466680) is 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide is CCC(C)(C)Nc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
The InChIKey is NWDHGFXNASCYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-11(2,3)14-8-5-6-10(9(12)7-8)17(13,15)16/h5-7,14H,4,12H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 79466680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).