5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide

C13H22ClN3O2S — CID 29033224

IUPAC5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H22ClN3O2S/c1-13(2,9-17(3)4)8-16-20(18,19)12-7-10(15)5-6-11(12)14/h5-7,16H,8-9,15H2,1-4H3
InChIKeyCBCAJRKXYBHZPB-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.79
Rot. Bonds6

About 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide

5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (PubChem CID 29033224) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
PubChem CID29033224
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H22ClN3O2S/c1-13(2,9-17(3)4)8-16-20(18,19)12-7-10(15)5-6-11(12)14/h5-7,16H,8-9,15H2,1-4H3
InChIKeyCBCAJRKXYBHZPB-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.79
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

5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
2-chloro-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzene-1,4-diamine
CID 28903125
5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242782
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (CID 29033224) is 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The InChIKey is CBCAJRKXYBHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2S/c1-13(2,9-17(3)4)8-16-20(18,19)12-7-10(15)5-6-11(12)14/h5-7,16H,8-9,15H2,1-4H3.
What are the key properties of 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide has a molecular weight of 319.86 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is sourced from PubChem (CID 29033224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).