N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide

C19H26N2O2S — CID 4993242

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-19(2,15-21(3)4)14-20-24(22,23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3
InChIKeyGLOYWSWYRLQPCW-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.22
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide (PubChem CID 4993242) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
PubChem CID4993242
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-19(2,15-21(3)4)14-20-24(22,23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3
InChIKeyGLOYWSWYRLQPCW-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365229
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106057582
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940813

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide (CID 4993242) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide?
The InChIKey is GLOYWSWYRLQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-19(2,15-21(3)4)14-20-24(22,23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 4993242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).