N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide

C17H21NO3S — CID 53289163

IUPACN-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC
InChIInChI=1S/C17H21NO3S/c1-5-14-11-16(8-9-17(14)21-4)22(19,20)18-15-7-6-12(2)13(3)10-15/h6-11,18H,5H2,1-4H3
InChIKeyTWKKEFMWAHILDK-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.68
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide

N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide (PubChem CID 53289163) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
PubChem CID53289163
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC
InChIInChI=1S/C17H21NO3S/c1-5-14-11-16(8-9-17(14)21-4)22(19,20)18-15-7-6-12(2)13(3)10-15/h6-11,18H,5H2,1-4H3
InChIKeyTWKKEFMWAHILDK-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide (CID 53289163) is N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide is CCc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is TWKKEFMWAHILDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-5-14-11-16(8-9-17(14)21-4)22(19,20)18-15-7-6-12(2)13(3)10-15/h6-11,18H,5H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide?
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53289163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).