2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide

C12H22N4O2S — CID 79467510

IUPAC2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
SMILESCN(C)CCCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H22N4O2S/c1-16(2)8-4-3-7-15-10-5-6-12(11(13)9-10)19(14,17)18/h5-6,9,15H,3-4,7-8,13H2,1-2H3,(H2,14,17,18)
InChIKeyHFNIOQFSWFLVAU-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.67
Rot. Bonds7

About 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide

2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide (PubChem CID 79467510) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
PubChem CID79467510
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
SMILESCN(C)CCCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H22N4O2S/c1-16(2)8-4-3-7-15-10-5-6-12(11(13)9-10)19(14,17)18/h5-6,9,15H,3-4,7-8,13H2,1-2H3,(H2,14,17,18)
InChIKeyHFNIOQFSWFLVAU-UHFFFAOYSA-N
XLogP0.67
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
1-[2-amino-4-[3-(dimethylamino)propylamino]phenyl]ethanone
CID 104528251
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-chloro-4-N-[3-(dimethylamino)propyl]benzene-1,4-diamine
CID 126636290
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
2-amino-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 80680984
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide (CID 79467510) is 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide is CN(C)CCCCNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide?
The InChIKey is HFNIOQFSWFLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16(2)8-4-3-7-15-10-5-6-12(11(13)9-10)19(14,17)18/h5-6,9,15H,3-4,7-8,13H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide?
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide is sourced from PubChem (CID 79467510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).