N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide

C16H17NO2S — CID 175348240

IUPACN-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESC=Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO2S/c1-3-14-5-4-6-15(11-14)12-17-20(18,19)16-9-7-13(2)8-10-16/h3-11,17H,1,12H2,2H3
InChIKeyZPLVMIWQKNHTOM-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.12
Rot. Bonds5

About N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide

N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 175348240) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID175348240
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESC=Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO2S/c1-3-14-5-4-6-15(11-14)12-17-20(18,19)16-9-7-13(2)8-10-16/h3-11,17H,1,12H2,2H3
InChIKeyZPLVMIWQKNHTOM-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 65032501
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
1-aminoethylidene-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 91934659
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733
N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060652
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3674738
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide (CID 175348240) is N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide is C=Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is ZPLVMIWQKNHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-3-14-5-4-6-15(11-14)12-17-20(18,19)16-9-7-13(2)8-10-16/h3-11,17H,1,12H2,2H3.
What are the key properties of N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175348240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).