4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide

C17H23N3O2S — CID 156503706

IUPAC4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(C)(C)Nc2ccccc2N)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,19-16-8-6-5-7-15(16)18)13-9-11-14(12-10-13)23(21,22)20(3)4/h5-12,19H,18H2,1-4H3
InChIKeyWILDFRCOZTXOAJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.87
Rot. Bonds5

About 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide

4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 156503706) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID156503706
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(C)(C)Nc2ccccc2N)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,19-16-8-6-5-7-15(16)18)13-9-11-14(12-10-13)23(21,22)20(3)4/h5-12,19H,18H2,1-4H3
InChIKeyWILDFRCOZTXOAJ-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.87
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

4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
2-N-tert-butylbenzene-1,2-diamine;hydrochloride
CID 91654382
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107849381
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 82898642

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide (CID 156503706) is 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(C)(C)Nc2ccccc2N)cc1.
What is the InChIKey of 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WILDFRCOZTXOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,19-16-8-6-5-7-15(16)18)13-9-11-14(12-10-13)23(21,22)20(3)4/h5-12,19H,18H2,1-4H3.
What are the key properties of 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoanilino)propan-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 156503706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).