N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide

C24H21NO2S — CID 138981143

IUPACN-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide
SMILESC=Cc1ccccc1CN(C#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21NO2S/c1-3-22-11-7-8-12-23(22)19-25(18-17-21-9-5-4-6-10-21)28(26,27)24-15-13-20(2)14-16-24/h3-16H,1,19H2,2H3
InChIKeyGEMCZBRPUWZGCM-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.84
Rot. Bonds5

About N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide

N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide (PubChem CID 138981143) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide
PubChem CID138981143
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC NameN-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide
SMILESC=Cc1ccccc1CN(C#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21NO2S/c1-3-22-11-7-8-12-23(22)19-25(18-17-21-9-5-4-6-10-21)28(26,27)24-15-13-20(2)14-16-24/h3-16H,1,19H2,2H3
InChIKeyGEMCZBRPUWZGCM-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
4-methyl-N-[2-[[(4-methylphenyl)sulfonyl-(2-trimethylsilylethynyl)amino]methyl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 138978700
N-but-3-enyl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 135077522
N-[(2-bromophenyl)methyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 102177565
N-benzyl-N-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 101479028
N,N-bis[(Z)-4,6-diphenylhex-3-en-5-ynyl]-4-methylbenzenesulfonamide
CID 25227650
N-benzyl-4-methyl-N-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]benzenesulfonamide
CID 135074869
N-benzyl-4-methyl-N-[8-(4-nitrophenyl)octa-1,3,5,7-tetraynyl]benzenesulfonamide
CID 135069917
N-[(E)-benzylideneamino]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 135036563
N-[(3E)-3-(benzenesulfonyl)-5-methylhexa-3,5-dienyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 16724424
N-benzyl-N-[(E)-4-(4-chlorophenyl)but-3-en-1-ynyl]-4-methylbenzenesulfonamide
CID 129127567
N-[2-(4-bromophenyl)ethynyl]-N,4-dimethylbenzenesulfonamide
CID 154730457

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide?
The IUPAC name of N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide (CID 138981143) is N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide?
The canonical SMILES for N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide is C=Cc1ccccc1CN(C#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide?
The InChIKey is GEMCZBRPUWZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-3-22-11-7-8-12-23(22)19-25(18-17-21-9-5-4-6-10-21)28(26,27)24-15-13-20(2)14-16-24/h3-16H,1,19H2,2H3.
What are the key properties of N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide?
N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylphenyl)methyl]-4-methyl-N-(2-phenylethynyl)benzenesulfonamide is sourced from PubChem (CID 138981143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).