N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide

C16H17NO3S — CID 91458005

IUPACN-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(C=CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-17(21(18,19)16-6-4-3-5-7-16)13-12-14-8-10-15(20-2)11-9-14/h3-13H,1-2H3
InChIKeyVSRTZJZFAJVAPM-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide

N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide (PubChem CID 91458005) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
PubChem CID91458005
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(C=CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-17(21(18,19)16-6-4-3-5-7-16)13-12-14-8-10-15(20-2)11-9-14/h3-13H,1-2H3
InChIKeyVSRTZJZFAJVAPM-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
CID 7921384
1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
CID 73028468
N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
CID 139934221
N-cyano-N-(4-methoxyphenyl)benzenesulfonamide
CID 141484431
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
CID 13140763
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 42696245

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide (CID 91458005) is N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide is COc1ccc(C=CN(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide?
The InChIKey is VSRTZJZFAJVAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-17(21(18,19)16-6-4-3-5-7-16)13-12-14-8-10-15(20-2)11-9-14/h3-13H,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide?
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 91458005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).