N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide

C17H19NO4S — CID 102247944

IUPACN-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cc(OC)c(C)cc2OC)cc1
InChIInChI=1S/C17H19NO4S/c1-5-13-6-8-14(9-7-13)23(19,20)18-15-11-16(21-3)12(2)10-17(15)22-4/h5-11,18H,1H2,2-4H3
InChIKeyXUQNJJJNXQQREO-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.46
Rot. Bonds6

About N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide

N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide (PubChem CID 102247944) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide
PubChem CID102247944
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cc(OC)c(C)cc2OC)cc1
InChIInChI=1S/C17H19NO4S/c1-5-13-6-8-14(9-7-13)23(19,20)18-15-11-16(21-3)12(2)10-17(15)22-4/h5-11,18H,1H2,2-4H3
InChIKeyXUQNJJJNXQQREO-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-[2,5-dimethoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide
CID 10718059

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide (CID 102247944) is N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide is C=Cc1ccc(S(=O)(=O)Nc2cc(OC)c(C)cc2OC)cc1.
What is the InChIKey of N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide?
The InChIKey is XUQNJJJNXQQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-5-13-6-8-14(9-7-13)23(19,20)18-15-11-16(21-3)12(2)10-17(15)22-4/h5-11,18H,1H2,2-4H3.
What are the key properties of N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide?
N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide is sourced from PubChem (CID 102247944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).