4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide

C19H19NO2S — CID 11067344

IUPAC4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO2S/c1-3-15-20(16-7-10-18-8-5-4-6-9-18)23(21,22)19-13-11-17(2)12-14-19/h3-6,8-9,11-14H,1,15-16H2,2H3
InChIKeyPFUKRZHFIGETCY-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.22
Rot. Bonds5

About 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide

4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 11067344) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID11067344
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO2S/c1-3-15-20(16-7-10-18-8-5-4-6-9-18)23(21,22)19-13-11-17(2)12-14-19/h3-6,8-9,11-14H,1,15-16H2,2H3
InChIKeyPFUKRZHFIGETCY-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
N,N'-Ethylenebis(N-methyl-P-toluenesulfonamide)
CID 228118
50487-72-4
CID 351447
1-(4-Methylbenzenesulfonyl)aziridine
CID 561274
Tetraethylammonium p-toluenesulphonate
CID 101846
Ditolamide
CID 208847
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-benzenesulfonamide
CID 10809938

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide (CID 11067344) is 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(CC#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is PFUKRZHFIGETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-3-15-20(16-7-10-18-8-5-4-6-9-18)23(21,22)19-13-11-17(2)12-14-19/h3-6,8-9,11-14H,1,15-16H2,2H3.
What are the key properties of 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11067344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).