N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide

C19H23NO2S — CID 10065175

IUPACN-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
SMILESC=C(C)C(C)(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-15(2)19(4,17-8-6-5-7-9-17)14-20-23(21,22)18-12-10-16(3)11-13-18/h5-13,20H,1,14H2,2-4H3
InChIKeyNSDQQLUFIPXQPQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.81
Rot. Bonds6

About N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide

N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide (PubChem CID 10065175) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
PubChem CID10065175
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
SMILESC=C(C)C(C)(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-15(2)19(4,17-8-6-5-7-9-17)14-20-23(21,22)18-12-10-16(3)11-13-18/h5-13,20H,1,14H2,2-4H3
InChIKeyNSDQQLUFIPXQPQ-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide
CID 135016507
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376
N-(2,2-dimethyl-3-oxopropyl)-4-methylbenzenesulfonamide
CID 11402591
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide (CID 10065175) is N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide is C=C(C)C(C)(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide?
The InChIKey is NSDQQLUFIPXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15(2)19(4,17-8-6-5-7-9-17)14-20-23(21,22)18-12-10-16(3)11-13-18/h5-13,20H,1,14H2,2-4H3.
What are the key properties of N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide?
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10065175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).